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Common name


tetrachloroethane

Formula


C2H2Cl4

CAS


79-34-5

IUPAC name


1,1,2,2-tetrachloroethane

SMILES


C(C(Cl)Cl)(Cl)Cl

INCHI


InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

Physicochemical Properties

Molecular weight:

167.849

Molar refractivity:

30.764

Num. bonds:

5

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

6

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

5.04

Lipophilicity

ALogP:

2.399

MLogP:

1.24

XLogP:

2.576

Water Solubility

CLogS:

-2.434

Geometric

PPSA-1:

109.09

PNSA-1:

271.467

RPCS:

7.461

RNCS:

16.688

THSA:

318.698

TPSA:

61.859

RHSA:

0.837

RPSA:

0.163

Electrostatic

RPCG:

0.355

RNCG:

0.25

Flexibility

Num. Rot. bonds:

1

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.708

QEI:

0.576

Gau:

3.597