Responsive image

Common name


jodfenphos

Formula


C8H8Cl2IO3PS

CAS


18181-70-9

IUPAC name


O-(2,5-dichloro-4-iodophenyl) O,O-dimethyl phosphorothioate

SMILES


COP(=S)(OC)Oc1cc(c(cc1Cl)I)Cl

INCHI


InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3

Physicochemical Properties

Molecular weight:

412.997

Molar refractivity:

82.428

Num. bonds:

16

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

3

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

16.08

Lipophilicity

ALogP:

2.982

MLogP:

1.46

XLogP:

4.474

Water Solubility

CLogS:

-4.404

Geometric

PPSA-1:

229.886

PNSA-1:

282.814

RPCS:

0.216

RNCS:

5.561

THSA:

462.123

TPSA:

50.577

RHSA:

0.901

RPSA:

0.099

Electrostatic

RPCG:

0.245

RNCG:

0.257

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

69.59
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.534

QEI:

0.735

Gau:

6.48