Mrv1533004251513232D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 I   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 I   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>
CHEM015943

> <DATABASE_NAME>
chemdb

> <SMILES>
IC(I)I

> <INCHI_IDENTIFIER>
InChI=1S/CHI3/c2-1(3)4/h1H

> <INCHI_KEY>
OKJPEAGHQZHRQV-UHFFFAOYSA-N

> <FORMULA>
CHI3

> <MOLECULAR_WEIGHT>
393.732

> <EXACT_MASS>
393.72124

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
17.59072069267678

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
triiodomethane

> <ALOGPS_LOGP>
2.82

> <JCHEM_LOGP>
4.647148779999999

> <ALOGPS_LOGS>
-3.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
45.24229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iodoform

> <JCHEM_VEBER_RULE>
1

> <NAME>
Iodoform

> <SYNONYMS>
iodiform; Triiodomethane; triiodomethane

$$$$