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Common name


jiahuangchongzong

Formula


C18H19ClN2O3S

CAS


78929-50-7

IUPAC name


4-[(4-chlorophenyl)[(1-methylpropylidene)hydrazono]methyl]phenyl methanesulfonate

SMILES


CCC(=NN=C(c1ccc(cc1)Cl)c1ccc(cc1)OS(=O)(=O)C)C

INCHI


InChI=1S/C18H19ClN2O3S/c1-4-13(2)20-21-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)24-25(3,22)23/h5-12H,4H2,1-3H3

Physicochemical Properties

Molecular weight:

378.873

Molar refractivity:

108.282

Num. bonds:

26

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

25

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

76.07

Lipophilicity

ALogP:

1.932

MLogP:

2.67

XLogP:

2.315

Water Solubility

CLogS:

-5.677

Geometric

PPSA-1:

400.536

PNSA-1:

316.359

RPCS:

0.469

RNCS:

2.503

THSA:

698.077

TPSA:

18.818

RHSA:

0.974

RPSA:

0.026

Electrostatic

RPCG:

0.179

RNCG:

0.154

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.231

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

76.47
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.187

QEI:

0.806

Gau:

6.558