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Common name


methoxyfenozide

Formula


C22H28N2O3

CAS


161050-58-4

IUPAC name


3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide

SMILES


Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1cccc(c1C)OC

INCHI


InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)

Physicochemical Properties

Molecular weight:

368.469

Molar refractivity:

101.347

Num. bonds:

28

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

27

Num. nitrogen atom:

2

Num. oxygen atoms:

3

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:

82.05

Lipophilicity

ALogP:

4.243

MLogP:

3.33

XLogP:

3.225

Water Solubility

CLogS:

-5.257

Geometric

PPSA-1:

517.151

PNSA-1:

167.232

RPCS:

0.383

RNCS:

2.056

THSA:

644.046

TPSA:

40.337

RHSA:

0.941

RPSA:

0.059

Electrostatic

RPCG:

0.135

RNCG:

0.173

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.179

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.192

QEI:

0.607

Gau:

6.034