24526
  -OEChem-10061700103D

  2  1  0     0  0  0  0  0  0999 V2000
   -1.0061    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11109

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
ClCl

> <INCHI_IDENTIFIER>
InChI=1S/Cl2/c1-2

> <INCHI_KEY>
KZBUYRJDOAKODT-UHFFFAOYSA-N

> <FORMULA>
Cl2

> <MOLECULAR_WEIGHT>
70.906

> <EXACT_MASS>
69.937705414

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.546961026371296

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorine

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
1.0835902093333334

> <ALOGPS_LOGS>
-0.36

> <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>
12.2726

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

$$$$