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Common name


formetanate

Formula


C11H15N3O2

CAS


22259-30-9

IUPAC name


N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]methanimidamide

SMILES


CNC(=O)Oc1cccc(c1)/N=C/N(C)C

INCHI


InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)

Physicochemical Properties

Molecular weight:

221.256

Molar refractivity:

65.545

Num. bonds:

16

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

3

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

16.05

Lipophilicity

ALogP:

0.187

MLogP:

2.12

XLogP:

0.826

Water Solubility

CLogS:

-1.65

Geometric

PPSA-1:

389.668

PNSA-1:

183.898

RPCS:

1.141

RNCS:

0.475

THSA:

497.474

TPSA:

76.092

RHSA:

0.867

RPSA:

0.133

Electrostatic

RPCG:

0.242

RNCG:

0.192

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.313

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

41.9
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.554

QEI:

0.649

Gau:

5.921