9664
  -OEChem-10261719593D

  6  5  0     0  0  0  0  0  0999 V2000
    2.1530    0.0080   -0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    0.6191    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -1.3438    0.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    0.0046   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932    0.7121    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208    1.7933    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01542

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
FC(F)=CCl

> <INCHI_IDENTIFIER>
InChI=1S/C2HClF2/c3-1-2(4)5/h1H

> <INCHI_KEY>
HTHNTJCVPNKCPZ-UHFFFAOYSA-N

> <FORMULA>
C2HClF2

> <MOLECULAR_WEIGHT>
98.48

> <EXACT_MASS>
97.9734841

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.752973301066463

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-chloro-1,1-difluoroethene

> <ALOGPS_LOGP>
1.70

> <JCHEM_LOGP>
1.6031563346666666

> <ALOGPS_LOGS>
-1.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.907

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloro-1,1-difluoroethylene

> <JCHEM_VEBER_RULE>
1

$$$$