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Common name


lambda-cyhalothrin

Formula


C23H19ClF3NO3

CAS


91465-08-6

IUPAC name


(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-rel-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)[C@H](/C=C(/C(F)(F)F)\Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(c1)Oc1ccccc1.CC1(C)[C@@H](/C=C(/C(F)(F)F)\Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(c1)Oc1ccccc1

INCHI


InChI=1S/2C23H19ClF3NO3/c2*1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h2*3-12,17-18,20H,1-2H3/b2*19-12-/t2*17-,18+,20-/m10/s1

Physicochemical Properties

Molecular weight:

449.85

Molar refractivity:

119.275

Num. bonds:

33

Num. double bonds:

8

Num. triple bonds:

1

Num. heavy atoms:

31

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

159.08

Lipophilicity

ALogP:

3.923

MLogP:

3.11

XLogP:

4.058

Water Solubility

CLogS:

-5.716

Geometric

PPSA-1:

414.023

PNSA-1:

381.302

RPCS:

0.035

RNCS:

1.939

THSA:

695.788

TPSA:

99.537

RHSA:

0.875

RPSA:

0.125

Electrostatic

RPCG:

0.185

RNCG:

0.132

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.242

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

59.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.092

QEI:

0.547

Gau:

5.419