N8E
  Mrv0541 02241213582D          

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   -6.9992    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7120    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB08249

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCOCCOCCOCCOCCOCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3

> <INCHI_KEY>
MJELOWOAIAAUJT-UHFFFAOYSA-N

> <FORMULA>
C18H38O6

> <MOLECULAR_WEIGHT>
350.4907

> <EXACT_MASS>
350.266838948

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-7.339778140944098e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
44.30774077312739

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,6,9,12,15-pentaoxatricosan-1-ol

> <ALOGPS_LOGP>
2.43

> <JCHEM_LOGP>
2.348719064333333

> <ALOGPS_LOGS>
-4.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.121155523152114

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7458065741732653

> <JCHEM_POLAR_SURFACE_AREA>
66.38000000000001

> <JCHEM_REFRACTIVITY>
95.7564

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.58e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08249

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
3,6,9,12,15-PENTAOXATRICOSAN-1-OL

$$$$