Mrv0541 02241204142D          

  3  2  0  0  0  0            999 V2000
    1.2376   -0.7146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0004

> <DATABASE_NAME>
t3db

> <SMILES>
ClC=C

> <INCHI_IDENTIFIER>
InChI=1S/C2H3Cl/c1-2-3/h2H,1H2

> <INCHI_KEY>
BZHJMEDXRYGGRV-UHFFFAOYSA-N

> <FORMULA>
C2H3Cl

> <MOLECULAR_WEIGHT>
62.498

> <EXACT_MASS>
61.992327803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
5.556427488615327

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloroethene

> <ALOGPS_LOGP>
1.43

> <JCHEM_LOGP>
1.4240064436666666

> <ALOGPS_LOGS>
-0.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
14.7774

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vinyl chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0004

> <NAME>
Vinyl chloride

> <CAS>
75-01-4

> <SYNONYMS>
Chloroethene; Chloroethylene; Monochloroethene; Monochloroethylene; Monovinyl chloride; Refrigerant-1140; VC; VCM; Vinyl chloride monomer

> <TYPES>
Organic Compound; Industrial Precursor/Intermediate; Organochloride; Pollutant; Cigarette Toxin; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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