Mrv1652305271900052D          

  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
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  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  1  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0047

> <DATABASE_NAME>
t3db

> <SMILES>
ClC(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CCl4/c2-1(3,4)5

> <INCHI_KEY>
VZGDMQKNWNREIO-UHFFFAOYSA-N

> <FORMULA>
CCl4

> <MOLECULAR_WEIGHT>
153.823

> <EXACT_MASS>
151.875410828

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
10.504360531549995

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrachloromethane

> <ALOGPS_LOGP>
2.64

> <JCHEM_LOGP>
2.9966022856666665

> <ALOGPS_LOGS>
-1.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
2.3038

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbon tetrachloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0047

> <NAME>
Carbon tetrachloride

> <CAS>
56-23-5

> <SYNONYMS>
Carbon chloride; Carbon tet; Carbontetrachloride; Methane tetrachloride; Necatorine; Perchloromethane; Tetrachloro-Methane; Tetrachloromethane; Tetrasol

> <TYPES>
Organic Compound; Organochloride; Solvent; Indicator and Reagent; Pesticide; Pollutant; Food Toxin; Metabolite; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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