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Common name


dichlofenthion

Formula


C10H13Cl2O3PS

CAS


97-17-6

IUPAC name


O-(2,4-dichlorophenyl) O,O-diethyl phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1ccc(cc1Cl)Cl

INCHI


InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

315.153

Molar refractivity:

78.697

Num. bonds:

17

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

2

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

17.07

Lipophilicity

ALogP:

3.2

MLogP:

1.79

XLogP:

4.297

Water Solubility

CLogS:

-4.184

Geometric

PPSA-1:

322.754

PNSA-1:

250.233

RPCS:

0.203

RNCS:

4.944

THSA:

530.27

TPSA:

42.717

RHSA:

0.925

RPSA:

0.075

Electrostatic

RPCG:

0.23

RNCG:

0.238

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.353

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

69.59
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.856

QEI:

0.878

Gau:

7.124