Mrv0541 09051416202D          

  4  3  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11387

> <DATABASE_NAME>
drugbank

> <SMILES>
ClC(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CHCl3/c2-1(3)4/h1H

> <INCHI_KEY>
HEDRZPFGACZZDS-UHFFFAOYSA-N

> <FORMULA>
CHCl3

> <MOLECULAR_WEIGHT>
119.378

> <EXACT_MASS>
117.914383153

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.5212644443643

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloromethane

> <ALOGPS_LOGP>
1.67

> <JCHEM_LOGP>
1.8253005136666667

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.3673

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.95e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11387

> <DRUG_GROUPS>
approved; vet_approved; withdrawn

> <GENERIC_NAME>
Chloroform

> <SYNONYMS>
1,1,1-trichloromethane; CHCl3; Chloroforme; chloroformium pro narcosi; Trichlormethan; Trichloromethane; trichlorométhane

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