Mrv0541 02231219432D          

 17 16  0  0  0  0            999 V2000
   28.6534  -10.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9392   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2247  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5103   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7960  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0816   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3673  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6528   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9385  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2243   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5098  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7954   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0812  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3667   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6525  -10.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9381   -9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2236  -10.2584    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
M  END
> <DATABASE_ID>
DB09494

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

> <INCHI_KEY>
BXWNKGSJHAJOGX-UHFFFAOYSA-N

> <FORMULA>
C16H34O

> <MOLECULAR_WEIGHT>
242.4406

> <EXACT_MASS>
242.26096571

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
8.747455040604531e-10

> <JCHEM_AVERAGE_POLARIZABILITY>
34.380659257576646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecan-1-ol

> <ALOGPS_LOGP>
7.17

> <JCHEM_LOGP>
6.140145926

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
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>
77.34689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09494

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Cetyl alcohol

> <SYNONYMS>
hexadecan-1-ol; palmityl alcohol

> <PRODUCTS>
All Day Skin Relief with Colloidal Oats; Daily Moisturizing with Colloidal Oats

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