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Common name


ethylene dichloride

Formula


C2H4Cl2

CAS


107-06-2

IUPAC name


1,2-dichloroethane

SMILES


C(CCl)Cl

INCHI


InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2

Physicochemical Properties

Molecular weight:

98.959

Molar refractivity:

20.656

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

3.02

Lipophilicity

ALogP:

1.512

MLogP:

1.46

XLogP:

1.74

Water Solubility

CLogS:

-1.84

Geometric

PPSA-1:

191.216

PNSA-1:

145.167

RPCS:

6.552

RNCS:

36.392

THSA:

336.383

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.198

RNCG:

0.5

Flexibility

Num. Rot. bonds:

1

Frac. of Rot. bonds:

0.333

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:

4.815

QEI:

0.527

Gau:

3.292