Responsive image

Common name


cyantraniliprole

Formula


C19H14BrClN6O2

CAS


736994-63-1

IUPAC name


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

SMILES


Cc1cc(cc(c1NC(=O)c1cc(Br)nn1c1c(cccn1)Cl)/C(=N/C)/O)C#N

INCHI


InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)

Physicochemical Properties

Molecular weight:

473.71

Molar refractivity:

115.231

Num. bonds:

31

Num. double bonds:

10

Num. triple bonds:

1

Num. heavy atoms:

29

Num. nitrogen atom:

6

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

7

Num. H-bond donors:

3

Complexity of system:

149.1

Lipophilicity

ALogP:

1.691

MLogP:

2.45

XLogP:

2.615

Water Solubility

CLogS:

-5.38

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.161

Photostability

Num. arom. bonds:

15

Num. arom. atoms:

14

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

106.54
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.607

QEI:

0.161

Gau:

4.087