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Common name


schradan

Formula


C8H24N4O3P2

CAS


152-16-9

IUPAC name


octamethyldiphosphoramide

SMILES


CN(C)P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C

INCHI


InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3

Physicochemical Properties

Molecular weight:

286.249

Molar refractivity:

70.84

Num. bonds:

16

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

4

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

2

Num. halogen atoms:

0

Num. H-bond acc:

7

Num. H-bond donors:

0

Complexity of system:

16.09

Lipophilicity

ALogP:

-1.586

MLogP:

1.35

XLogP:

-1.228

Water Solubility

CLogS:

-0.095

Geometric

PPSA-1:

367.662

PNSA-1:

191.801

RPCS:

0.274

RNCS:

3.602

THSA:

484.46

TPSA:

75.002

RHSA:

0.866

RPSA:

0.134

Electrostatic

RPCG:

0.207

RNCG:

0.152

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.375

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

75.95
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.651

QEI:

0.266

Gau:

5.024