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Common name


protrifenbute

Formula


C25H24ClFO

CAS


119544-94-4

IUPAC name


4-[4-(4-chlorophenyl)-4-cyclopropylbutyl]-1-fluoro-2-phenoxybenzene

SMILES


c1ccc(cc1)Oc1cc(CCCC(C2CC2)c2ccc(cc2)Cl)ccc1F

INCHI


InChI=1S/C25H24ClFO/c26-21-14-12-20(13-15-21)23(19-10-11-19)8-4-5-18-9-16-24(27)25(17-18)28-22-6-2-1-3-7-22/h1-3,6-7,9,12-17,19,23H,4-5,8,10-11H2

Physicochemical Properties

Molecular weight:

394.909

Molar refractivity:

123.054

Num. bonds:

31

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

0

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

205.03

Lipophilicity

ALogP:

3.251

MLogP:

3.88

XLogP:

6.285

Water Solubility

CLogS:

-8.039

Geometric

PPSA-1:

468.717

PNSA-1:

328.587

RPCS:

0.753

RNCS:

2.246

THSA:

737.865

TPSA:

59.439

RHSA:

0.925

RPSA:

0.075

Electrostatic

RPCG:

0.1

RNCG:

0.2

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.258

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

4

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

9.23
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.542

QEI:

0.534

Gau:

4.079