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Common name


isodrin

Formula


C12H8Cl6

CAS


465-73-6

IUPAC name


(1R,4S,4aS,5R,8S,8aR)-rel-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene

SMILES


C1=C[C@@H]2C[C@H]1[C@H]1[C@@H]2[C@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl

INCHI


InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7+,10-,11+

Physicochemical Properties

Molecular weight:

364.91

Molar refractivity:

78.029

Num. bonds:

21

Num. double bonds:

2

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:

6

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

135.06

Lipophilicity

ALogP:

3.061

MLogP:

2.12

XLogP:

4.156

Water Solubility

CLogS:

-5.392

Geometric

PPSA-1:

184.063

PNSA-1:

354.716

RPCS:

0

RNCS:

7.34

THSA:

538.779

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.212

RNCG:

0.143

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:

4

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:

3.629

QEI:

0.625

Gau:

3.274