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Common name


amitraz

Formula


C19H23N3

CAS


33089-61-1

IUPAC name


N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methylmethanimidamide

SMILES


Cc1ccc(c(C)c1)N=CN(C)C=Nc1ccc(C)cc1C

INCHI


InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3

Physicochemical Properties

Molecular weight:

293.406

Molar refractivity:

100.994

Num. bonds:

23

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

3

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

67.03

Lipophilicity

ALogP:

3.221

MLogP:

3.22

XLogP:

3.055

Water Solubility

CLogS:

-5.457

Geometric

PPSA-1:

507.592

PNSA-1:

215.677

RPCS:

0.812

RNCS:

1.008

THSA:

708.454

TPSA:

14.815

RHSA:

0.98

RPSA:

0.02

Electrostatic

RPCG:

0.074

RNCG:

0.185

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.174

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

27.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.353

QEI:

0.745

Gau:

5.448