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Common name


dilor

Formula


C10H7Cl7

CAS


14168-01-5

IUPAC name


(2?,3a?,4?,7?,7a?)-2,4,5,6,7,8,8-heptachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene

SMILES


C1C(CC2C1C1(C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl

INCHI


InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2

Physicochemical Properties

Molecular weight:

375.334

Molar refractivity:

73.616

Num. bonds:

19

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

89.07

Lipophilicity

ALogP:

3.804

MLogP:

1.79

XLogP:

4.074

Water Solubility

CLogS:

-6.148

Geometric

PPSA-1:

130.668

PNSA-1:

373.782

RPCS:

0

RNCS:

10.924

THSA:

504.45

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.216

RNCG:

0.16

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:

0.584

Gau:

3.243