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Common name


acephate

Formula


C4H10NO3PS

CAS


30560-19-1

IUPAC name


O,S-dimethyl acetylphosphoramidothioate

SMILES


CC(=O)NP(=O)(OC)SC

INCHI


InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)

Physicochemical Properties

Molecular weight:

183.166

Molar refractivity:

40.361

Num. bonds:

9

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

9.06

Lipophilicity

ALogP:

0.007

MLogP:

1.24

XLogP:

-0.269

Water Solubility

CLogS:

-0.429

Geometric

PPSA-1:

382.439

PNSA-1:

160.538

RPCS:

1.944

RNCS:

5.94

THSA:

378.432

TPSA:

164.546

RHSA:

0.697

RPSA:

0.303

Electrostatic

RPCG:

0.294

RNCG:

0.286

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.444

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

5

TopoPSA:

78.48
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.571

QEI:

0.576

Gau:

5.334