NMPC 1317-n-nonadecanol (80281)
 OpenBabel01112406363D

 60 59  0  0  0  0  0  0  0  0999 V2000
    0.6547    0.0579    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1011   -6.3357   -4.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -6.2470   -3.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6307   -6.3855   -4.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0024   -4.9781   -2.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -7.6154   -4.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -3.6990   -3.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372   -8.9291   -4.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918   -3.5913   -3.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2081   -9.0682   -6.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652   -3.5683   -2.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7330   -9.0399   -6.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -2.3813   -1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4212  -10.1904   -5.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -1.0244   -1.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0414  -11.5750   -6.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -0.8145   -1.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3695  -11.7841   -7.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1903   -0.9219   -0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538  -11.6371   -7.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -7.2142   -5.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583   -5.4877   -5.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446   -7.1240   -2.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549   -6.2989   -3.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9696   -6.3636   -5.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0577   -5.4818   -4.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0973   -4.9471   -2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583   -5.0158   -1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2827   -7.5514   -4.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8907   -7.6128   -3.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -3.6403   -4.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537   -2.8326   -2.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1016   -9.7673   -4.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6476   -9.0181   -4.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -4.4272   -4.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7082   -2.6983   -4.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033   -9.9954   -6.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7795   -8.2710   -6.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915   -4.4975   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747   -3.5609   -2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9979   -9.0531   -7.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1306   -8.0886   -6.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9206   -2.4149   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -2.4812   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5069  -10.0494   -5.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1909  -10.1461   -4.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092   -0.9001   -2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -0.2320   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5628  -12.3335   -5.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9731  -11.7555   -6.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146   -1.5295   -2.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747    0.1844   -2.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0433  -12.7873   -7.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8005  -11.0846   -8.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889   -1.9096   -0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763   -0.7439   -0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4382  -12.3336   -7.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0539  -11.8488   -9.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2088  -10.6220   -7.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -0.1627    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 60  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 19  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
80281

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
156

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
nonadecan-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
1-nonadecanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
nonadecan-1-ol

>  <PUBCHEM_IUPAC_NAME>
nonadecan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nonadecan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nonadecan-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
XGFDHKJUZCCPKQ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
8.9

>  <PUBCHEM_EXACT_MASS>
284.307915895

>  <PUBCHEM_MOLECULAR_FORMULA>
C19H40O

>  <PUBCHEM_MOLECULAR_WEIGHT>
284.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.307915895

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
