Mrv1533004191523132D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015939

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Br)I

> <INCHI_IDENTIFIER>
InChI=1S/CHBrClI/c2-1(3)4/h1H

> <INCHI_KEY>
WUHPSARYLVYQOT-UHFFFAOYSA-N

> <FORMULA>
CHBrClI

> <MOLECULAR_WEIGHT>
255.28

> <EXACT_MASS>
253.79949

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
12.589903036290176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromo(chloro)iodomethane

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
2.188

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
32.4597

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bromo(chloro)iodomethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Bromochloroiodomethane

$$$$