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Common name


chlorprazophos

Formula


C11H15ClN3O3PS

CAS


36145-08-1

IUPAC name


O-(3-chloro-7-methylpyrazolo[1,5-a]pyrimidin-2-yl) O,O-diethyl phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1c(c2nccc(C)n2n1)Cl

INCHI


InChI=1S/C11H15ClN3O3PS/c1-4-16-19(20,17-5-2)18-11-9(12)10-13-7-6-8(3)15(10)14-11/h6-7H,4-5H2,1-3H3

Physicochemical Properties

Molecular weight:

335.747

Molar refractivity:

56.527

Num. bonds:

21

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

5

Num. H-bond donors:

1

Complexity of system:

61.09

Lipophilicity

ALogP:

2.282

MLogP:

1.68

XLogP:

3.59

Water Solubility

CLogS:

-3.41

Geometric

PPSA-1:

558.787

PNSA-1:

216.788

RPCS:

2.901

RNCS:

3.124

THSA:

670.782

TPSA:

104.793

RHSA:

0.865

RPSA:

0.135

Electrostatic

RPCG:

0.164

RNCG:

0.171

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.286

Photostability

Num. arom. bonds:

10

Num. arom. atoms:

9

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

102.68
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.989

QEI:

0.659

Gau:

6.013