Mrv0541 08251413522D          

  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    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
    0.8250    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  4  1  4  0  0  0
  5  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1906

> <DATABASE_NAME>
t3db

> <SMILES>
ClCC=CCl

> <INCHI_IDENTIFIER>
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2

> <INCHI_KEY>
UOORRWUZONOOLO-UHFFFAOYSA-N

> <FORMULA>
C3H4Cl2

> <MOLECULAR_WEIGHT>
110.97

> <EXACT_MASS>
109.969005542

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
9.756149571087633

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dichloroprop-1-ene

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
1.8844621376666664

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.276600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dichloropropene

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1906

> <NAME>
cis-1,3-Dichloropropene

> <CAS>
10061-01-5

> <SYNONYMS>
(1Z)-1,3-Dichloro-1-propene; (1Z)-1,3-dichloroprop-1-ene; (Z)-1,3-Dichloro-1-propene; (Z)-1,3-Dichloropropene; .alpha.,.gamma.-dichloropropylene; .alpha.-chloroallyl chloride; .gamma.-chloroallyl chloride; 1,3-Dichloro-1-propene; 1,3-Dichloro-1-propene (Z); 1,3-Dichloro-2-propene; 1,3-Dichloropropene; 1,3-Dichloropropene (cis+trans); 1,3-DICHLOROPROPENE, HIGH BOILING, PRACT; 1,3-Dichloropropene-1; 1,3-DICHLOROPROPENE-1,LOW BOILING; 1,3-Dichloropropylene; 1-Propene, 1,3-dichloro-, (Z)- (9CI); 3-Chloropropenyl chloride; cis-1,3-Dichloro-1-Propene; cis-1,3-Dichloropropylene; Cis-DCP; D-d mixture; Dichloropropene; Nemex; Telone; Telone c; Telone II; Vidden d

> <TYPES>
Organic Compound; Organochloride; Pesticide; Pollutant; Food Toxin; Chloropropene; Lachrymator; Synthetic Compound

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