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Common name


TEPP

Formula


C8H20O7P2

CAS


107-49-3

IUPAC name


tetraethyl diphosphate

SMILES


CCOP(=O)(OCC)OP(=O)(OCC)OCC

INCHI


InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3

Physicochemical Properties

Molecular weight:

290.188

Molar refractivity:

60.629

Num. bonds:

16

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

0

Num. oxygen atoms:

7

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:

1.181

MLogP:

1.35

XLogP:

0.292

Water Solubility

CLogS:

-1.78

Geometric

PPSA-1:

420.045

PNSA-1:

219.662

RPCS:

0.747

RNCS:

3.637

THSA:

536.31

TPSA:

103.397

RHSA:

0.838

RPSA:

0.162

Electrostatic

RPCG:

0.242

RNCG:

0.148

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.625

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

99.91
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.601

QEI:

0.385

Gau:

4.135