Mrv1718004301812412D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 I   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
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13813

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]C(I)(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>
17.590720693262767

> <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>
45.2423

> <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

> <DRUGBANK_ID>
DB13813

> <DRUG_GROUPS>
approved; experimental; vet_approved

> <GENERIC_NAME>
Iodoform

> <SYNONYMS>
carbon triiodide; Iodoform; Jodoform; methyl triiodide; triiodomethane

> <PRODUCTS>
Curity 3% Iodoform Packing Strip; Iodoform Nugauze Packing Strip 5%; Iodoform Packing Strip; Iodoform Packing Strip 5% W/w

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