Mrv1572004251602112D          

  7  6  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
    1.2375   -0.7145    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
    1.6500   -1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020922

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Br)C(Br)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/C2HBr4Cl/c3-1(7)2(4,5)6/h1H

> <INCHI_KEY>
XYIRCCZRZGAHIH-UHFFFAOYSA-N

> <FORMULA>
C2HBr4Cl

> <MOLECULAR_WEIGHT>
380.1

> <EXACT_MASS>
375.65003

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
18.606792620621594

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,2-tetrabromo-2-chloroethane

> <ALOGPS_LOGP>
3.95

> <JCHEM_LOGP>
2.8516135499999997

> <ALOGPS_LOGS>
-4.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
47.563

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.77e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1,2-tetrabromo-2-chloroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1,1,2-Tetrabromo-2-chloroethane

$$$$