Responsive image

Common name


gamma-HCH

Formula


C6H6Cl6

CAS


58-89-9

IUPAC name


1,2,3,4,5,6-hexachlorocyclohexane

SMILES


[C@@H]1([C@@H]([C@H]([C@H]([C@@H]([C@H]1Cl)Cl)Cl)Cl)Cl)Cl

INCHI


InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+

Physicochemical Properties

Molecular weight:

290.83

Molar refractivity:

54.081

Num. bonds:

12

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

12

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:

12.06

Lipophilicity

ALogP:

4.163

MLogP:

1.46

XLogP:

3.834

Water Solubility

CLogS:

-3.853

Geometric

PPSA-1:

147.59

PNSA-1:

306.485

RPCS:

0

RNCS:

7.881

THSA:

454.076

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.108

RNCG:

0.167

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:

1

Topological

topoRadius:

4

topoDiameter:

5

TopoPSA:

0
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.897

QEI:

0.574

Gau:

3.787