Mrv0541 02241204162D          

  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 Cl  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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0079

> <DATABASE_NAME>
t3db

> <SMILES>
ClC(Cl)=C

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2

> <INCHI_KEY>
LGXVIGDEPROXKC-UHFFFAOYSA-N

> <FORMULA>
C2H2Cl2

> <MOLECULAR_WEIGHT>
96.943

> <EXACT_MASS>
95.953355478

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.551360942091483

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1-dichloroethene

> <ALOGPS_LOGP>
1.97

> <JCHEM_LOGP>
1.8611373029999998

> <ALOGPS_LOGS>
-1.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
30.375400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vinylidene chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0079

> <NAME>
1,1-Dichloroethene

> <CAS>
75-35-4

> <SYNONYMS>
1,1-DCE; 1,1-Dichloroethene monomer; 1,1-Dichloroethylene; Monovinylidene chloride; Sconatex; Vinylidene chloride; Vinylidene chloride (II); Vinylidene chloride(II); Vinylidene chloride, inhibited; Vinylidene chloride, monomer; Vinylidene dichloride; Vinylidine chloride

> <TYPES>
Organic Compound; Organochloride; Pollutant; Lachrymator; Industrial/Workplace Toxin; Synthetic Compound

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