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Common name


tau-fluvalinate

Formula


C26H22ClF3N2O3

CAS


102851-06-9

IUPAC name


cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valinate

SMILES


CC(C)[C@H](C(=O)OC(C#N)c1cccc(c1)Oc1ccccc1)Nc1ccc(cc1Cl)C(F)(F)F

INCHI


InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1

Physicochemical Properties

Molecular weight:

502.913

Molar refractivity:

137.884

Num. bonds:

37

Num. double bonds:

10

Num. triple bonds:

1

Num. heavy atoms:

35

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

179.09

Lipophilicity

ALogP:

3.573

MLogP:

3.33

XLogP:

4.081

Water Solubility

CLogS:

-7.423

Geometric

PPSA-1:

354.556

PNSA-1:

488.416

RPCS:

2.85

RNCS:

2.525

THSA:

710.411

TPSA:

141.698

RHSA:

0.843

RPSA:

0.157

Electrostatic

RPCG:

0.155

RNCG:

0.115

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.27

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

71.35
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.747

QEI:

0.264

Gau:

4.494