Responsive image

Common name


chlorpyrifos

Formula


C9H11Cl3NO3PS

CAS


2921-88-2

IUPAC name


O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1c(cc(c(Cl)n1)Cl)Cl

INCHI


InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

350.586

Molar refractivity:

76.726

Num. bonds:

18

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

18.09

Lipophilicity

ALogP:

3.574

MLogP:

1.46

XLogP:

4.616

Water Solubility

CLogS:

-4.709

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

69.59
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.236

QEI:

0.745

Gau:

6.585