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Common name


nitenpyram

Formula


C11H15ClN4O2

CAS


150824-47-8

IUPAC name


(1E)-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine

SMILES


CCN(Cc1ccc(Cl)nc1)/C(=C/N(=O)=O)/NC

INCHI


InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+

Physicochemical Properties

Molecular weight:

270.715

Molar refractivity:

66.565

Num. bonds:

18

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

4

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

18.07

Lipophilicity

ALogP:

1.186

MLogP:

1.9

XLogP:

2.318

Water Solubility

CLogS:

-3.109

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

58.41
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.306

QEI:

0.684

Gau:

6.617