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Common name


TDE

Formula


C14H10Cl4

CAS


72-54-8

IUPAC name


1,1'-(2,2-dichloroethylidene)bis[4-chlorobenzene]

SMILES


c1cc(ccc1C(c1ccc(cc1)Cl)C(Cl)Cl)Cl

INCHI


InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

Physicochemical Properties

Molecular weight:

320.041

Molar refractivity:

87.859

Num. bonds:

19

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

18

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:

55.04

Lipophilicity

ALogP:

4.318

MLogP:

2.56

XLogP:

3.403

Water Solubility

CLogS:

-6.243

Geometric

PPSA-1:

195.106

PNSA-1:

313.627

RPCS:

0.032

RNCS:

7.673

THSA:

508.732

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.171

RNCG:

0.145

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.158

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.934

QEI:

0.573

Gau:

4.027