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Common name


naftalofos

Formula


C16H16NO6P

CAS


1491-41-4

IUPAC name


2-[(diethoxyphosphinyl)oxy]-1H-benz[de]isoquinoline-1,3(2H)-dione

SMILES


CCOP(=O)(OCC)On1c(=O)c2cccc3cccc(c23)c1=O

INCHI


InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

349.275

Molar refractivity:

79.149

Num. bonds:

26

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

1

Num. oxygen atoms:

6

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

124.08

Lipophilicity

ALogP:

1.567

MLogP:

2.34

XLogP:

1.276

Water Solubility

CLogS:

-3.817

Geometric

PPSA-1:

386.912

PNSA-1:

212.193

RPCS:

0.348

RNCS:

1.361

THSA:

497.848

TPSA:

101.257

RHSA:

0.831

RPSA:

0.169

Electrostatic

RPCG:

0.231

RNCG:

0.137

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.231

Photostability

Num. arom. bonds:

11

Num. arom. atoms:

10

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

88.71
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.038

QEI:

0.643

Gau:

4.986