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Common name


mephosfolan

Formula


C8H16NO3PS2

CAS


950-10-7

IUPAC name


diethyl N-(4-methyl-1,3-dithiolan-2-ylidene)phosphoramidate

SMILES


CCOP(=O)(N=C1SCC(C)S1)OCC

INCHI


InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3

Physicochemical Properties

Molecular weight:

269.321

Molar refractivity:

65.235

Num. bonds:

15

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

15.07

Lipophilicity

ALogP:

1.675

MLogP:

1.57

XLogP:

1.684

Water Solubility

CLogS:

-2.205

Geometric

PPSA-1:

494.704

PNSA-1:

216.465

RPCS:

9.49

RNCS:

6.43

THSA:

618.484

TPSA:

92.685

RHSA:

0.87

RPSA:

0.13

Electrostatic

RPCG:

0.338

RNCG:

0.223

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

108.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.01

QEI:

0.915

Gau:

6.487