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Common name


cyanophos

Formula


C9H10NO3PS

CAS


2636-26-2

IUPAC name


O-(4-cyanophenyl) O,O-dimethyl phosphorothioate

SMILES


COP(=S)(OC)Oc1ccc(cc1)C#N

INCHI


InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

Physicochemical Properties

Molecular weight:

243.219

Molar refractivity:

65.655

Num. bonds:

15

Num. double bonds:

4

Num. triple bonds:

1

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

15.06

Lipophilicity

ALogP:

1.801

MLogP:

1.79

XLogP:

1.938

Water Solubility

CLogS:

-2.102

Geometric

PPSA-1:

273.526

PNSA-1:

180.192

RPCS:

0.203

RNCS:

5.218

THSA:

320.037

TPSA:

133.681

RHSA:

0.705

RPSA:

0.295

Electrostatic

RPCG:

0.23

RNCG:

0.241

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.267

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

93.38
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.718

QEI:

0.834

Gau:

6.574