6212
  -OEChem-10051722113D

  5  4  0     0  0  0  0  0  0999 V2000
   -0.0962   -1.6789    0.1394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    0.9228    0.1394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    0.7561    0.1393 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.0000   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.0001   -1.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11387

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HEDRZPFGACZZDS-UHFFFAOYSA-N/SDF?record_type=3d

> <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

$$$$