Mrv0541 02241205412D          

  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  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
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0173

> <DATABASE_NAME>
t3db

> <SMILES>
Cl\C=C\Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

> <INCHI_KEY>
KFUSEUYYWQURPO-OWOJBTEDSA-N

> <FORMULA>
C2H2Cl2

> <MOLECULAR_WEIGHT>
96.943

> <EXACT_MASS>
95.953355478

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.651352005012485

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(E)-1,2-dichloroethene

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
1.7412039706666664

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
19.579

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trans-1,2-dichloroethylene

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0173

> <NAME>
trans-1,2-Dichloroethene

> <CAS>
156-60-5

> <SYNONYMS>
(E)-1,2-Dichloroethene; (E)-1,2-Dichloroethylene; 1,2-Dichloro Ethylene; 1,2-Dichloroethene; 1,2-Dichloroethylene; 1,2-Dichloroethylene (trans); 1,2-trans-Dichloroethene; 1,2-trans-Dichloroethylene; 1,trans-2-Dichloroethene; Acetylene dichloride; cis or trans 1,2-Dichloroethene; cis-1,2-Dichloroethylene; Dichloroethylene-trans; Dioform; Ethene,1,2-dichloro; SYM-dichloroethylene; Trans-1, 2-Dichloroethene; Trans-1,2-Dichloroethylene; Trans-acetylene dichloride; Trans-Di-1, 2-chloroethylene; Trans-Di-1,2-Chloroethylene; Trans-dichloroethene; Trans-dichloroethylene

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

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