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Common name


tetraniliprole

Formula


C22H16ClF3N10O2

CAS


1229654-66-3

IUPAC name


1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-3-[[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl]-1H-pyrazole-5-carboxamide

SMILES


Cc1cc(cc(c1NC(=O)c1cc(Cn2nc(C(F)(F)F)nn2)nn1c1c(cccn1)Cl)C(=O)NC)C#N

INCHI


InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38)

Physicochemical Properties

Molecular weight:

544.876

Molar refractivity:

133.055

Num. bonds:

41

Num. double bonds:

12

Num. triple bonds:

1

Num. heavy atoms:

38

Num. nitrogen atom:

10

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

10

Num. H-bond donors:

3

Complexity of system:

275.16

Lipophilicity

ALogP:

1.068

MLogP:

2.12

XLogP:

2.123

Water Solubility

CLogS:

-6.004

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.22

Photostability

Num. arom. bonds:

22

Num. arom. atoms:

21

Num. arom. rings:

4

Num. rings:

4

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

134.62
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.598

QEI:

0.087

Gau:

2.636