Mrv1572004191601072D          

  5  4  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003979

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)=CBr

> <INCHI_IDENTIFIER>
InChI=1S/C2HBrCl2/c3-1-2(4)5/h1H

> <INCHI_KEY>
OEKZZIRTAIOPIP-UHFFFAOYSA-N

> <FORMULA>
C2HBrCl2

> <MOLECULAR_WEIGHT>
175.83

> <EXACT_MASS>
173.863868

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
10.688906817286234

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-bromo-1,1-dichloroethene

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
2.343042779

> <ALOGPS_LOGS>
-2.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
37.995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.74e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-bromo-1,1-dichloro-ethene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Strychnine, sulfate

> <CAS>
60-41-3

> <SYNONYMS>
Strychnine hemisulphate salt

$$$$