Mrv1572004251602272D          

 36 34  0  0  0  0            999 V2000
   -6.4302    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7874    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5019   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9308   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6453    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3597   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0742    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7887   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5031    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9321    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6466   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3610    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0755   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7900    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5044   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2189    0.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM021000

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H38O.C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h19H,2-18H2,1H3;17H,2-16H2,1H3

> <INCHI_KEY>
UBHWBODXJBSFLH-UHFFFAOYSA-N

> <FORMULA>
C34H72O2

> <MOLECULAR_WEIGHT>
512.948

> <EXACT_MASS>
512.553231558

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
108

> <JCHEM_AVERAGE_POLARIZABILITY>
38.6538608215699

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecan-1-ol; octadecan-1-ol

> <ALOGPS_LOGP>
8.27

> <JCHEM_LOGP>
7.029283256

> <ALOGPS_LOGS>
-6.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
86.54889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cetyl alcohol; stearyl alcohol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cetearyl alcohol

$$$$