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Common name


semiamitraz

Formula


C10H14N2

CAS


33089-74-6

IUPAC name


N-(2,4-dimethylphenyl)-N'-methylmethanimidamide

SMILES


Cc1ccc(c(C)c1)NC=NC

INCHI


InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)

Physicochemical Properties

Molecular weight:

162.232

Molar refractivity:

54.315

Num. bonds:

12

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

2

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

12.02

Lipophilicity

ALogP:

1.07

MLogP:

2.34

XLogP:

1.579

Water Solubility

CLogS:

-3.239

Geometric

PPSA-1:

381.3

PNSA-1:

157.897

RPCS:

2.5

RNCS:

2.873

THSA:

521.938

TPSA:

17.259

RHSA:

0.968

RPSA:

0.032

Electrostatic

RPCG:

0.159

RNCG:

0.334

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.167

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

24.39
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.572

QEI:

0.562

Gau:

4.327