313
  -OEChem-10061700203D

  2  1  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -0.2053   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13366

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
Cl

> <INCHI_IDENTIFIER>
InChI=1S/ClH/h1H

> <INCHI_KEY>
VEXZGXHMUGYJMC-UHFFFAOYSA-N

> <FORMULA>
ClH

> <MOLECULAR_WEIGHT>
36.461

> <EXACT_MASS>
35.976677739

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.99999999999999

> <JCHEM_AVERAGE_POLARIZABILITY>
2.652584946676328

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrogen chloride

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.4155999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
0.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

$$$$