Mrv1652305271900242D          

 19 18  0  0  0  0            999 V2000
   30.8345  -11.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1200  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4055  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6911  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9767  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2620  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5477  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8331  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1187  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6897  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9753  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2609  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5462  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8319  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1174  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4029  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6884  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9739  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB012764

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCCCCCCCO

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

> <INCHI_KEY>
GLDOVTGHNKAZLK-UHFFFAOYSA-N

> <FORMULA>
C18H38O

> <MOLECULAR_WEIGHT>
270.4937

> <EXACT_MASS>
270.292265838

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
38.653860821569424

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearyl alcohol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB012764

> <GENERIC_NAME>
1-Octadecanol

$$$$