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Common name


plifenate

Formula


C10H7Cl5O2

CAS


21757-82-4

IUPAC name


(1RS)-2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl acetate

SMILES


CC(=O)OC(c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl

INCHI


InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3

Physicochemical Properties

Molecular weight:

336.426

Molar refractivity:

75.221

Num. bonds:

17

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

5

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

17.07

Lipophilicity

ALogP:

3.502

MLogP:

1.79

XLogP:

3.793

Water Solubility

CLogS:

-5.166

Geometric

PPSA-1:

191.053

PNSA-1:

330.861

RPCS:

0

RNCS:

3.182

THSA:

478.765

TPSA:

43.149

RHSA:

0.917

RPSA:

0.083

Electrostatic

RPCG:

0.23

RNCG:

0.233

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.235

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.607

QEI:

0.803

Gau:

6.375