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Common name


chlordane

Formula


C10H6Cl8

CAS


57-74-9

IUPAC name


1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene

SMILES


C1C2C(C(C1Cl)Cl)C1(C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)Cl

INCHI


InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2

Physicochemical Properties

Molecular weight:

409.779

Molar refractivity:

78.178

Num. bonds:

20

Num. double bonds:

1

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:

8

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

94.08

Lipophilicity

ALogP:

4.243

MLogP:

1.68

XLogP:

4.355

Water Solubility

CLogS:

-6.505

Geometric

PPSA-1:

134.773

PNSA-1:

425.355

RPCS:

0

RNCS:

9.41

THSA:

560.128

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.191

RNCG:

0.14

Flexibility

Num. Rot. bonds:

0

Frac. of Rot. bonds:

0

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

3

Topological

topoRadius:

4

topoDiameter:

6

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.465

QEI:

0.522

Gau:

2.873