Mrv1652305271900032D          

 21 20  0  0  0  0            999 V2000
   17.8498   -8.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1353   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4208   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2748   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9893   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7064   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1327   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8472   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9919   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2774   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7050   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4195   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1340   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617   -9.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2761   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629   -8.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -8.9121    0.0000 C   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
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
 21  4  1  0  0  0  0
 11  5  1  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
 12  7  1  0  0  0  0
 18  8  1  0  0  0  0
 20  9  1  0  0  0  0
 17  9  1  0  0  0  0
 13 10  1  0  0  0  0
 12 11  1  0  0  0  0
 20 13  1  0  0  0  0
 15 14  1  0  0  0  0
 19 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB007106

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

> <INCHI_KEY>
BTFJIXJJCSYFAL-UHFFFAOYSA-N

> <FORMULA>
C20H42O

> <MOLECULAR_WEIGHT>
298.5469

> <EXACT_MASS>
298.323565966

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
42.9447564330946

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
icosan-1-ol

> <ALOGPS_LOGP>
8.90

> <JCHEM_LOGP>
7.918420586

> <ALOGPS_LOGS>
-7.04

> <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>
95.75089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.72e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
arachidyl alcohol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB007106

> <GENERIC_NAME>
Eicosan-1-ol

$$$$