Responsive image

Common name


fenamiphos

Formula


C13H22NO3PS

CAS


22224-92-6

IUPAC name


ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate

SMILES


CCOP(=O)(NC(C)C)Oc1ccc(c(C)c1)SC

INCHI


InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)

Physicochemical Properties

Molecular weight:

303.357

Molar refractivity:

84.728

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

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:

1

Complexity of system:

19.06

Lipophilicity

ALogP:

1.412

MLogP:

2.23

XLogP:

2.334

Water Solubility

CLogS:

-3.981

Geometric

PPSA-1:

393.786

PNSA-1:

231.467

RPCS:

0.119

RNCS:

0.481

THSA:

568.504

TPSA:

56.75

RHSA:

0.909

RPSA:

0.091

Electrostatic

RPCG:

0.269

RNCG:

0.201

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.368

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

82.67
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.609

QEI:

0.825

Gau:

6.934