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Common name


formparanate

Formula


C12H17N3O2

CAS


17702-57-7

IUPAC name


N,N-dimethyl-N'-[2-methyl-4-[[(methylamino)carbonyl]oxy]phenyl]methanimidamide

SMILES


Cc1cc(ccc1/N=C/N(C)C)OC(=O)NC

INCHI


InChI=1S/C12H17N3O2/c1-9-7-10(17-12(16)13-2)5-6-11(9)14-8-15(3)4/h5-8H,1-4H3,(H,13,16)

Physicochemical Properties

Molecular weight:

235.282

Molar refractivity:

69.827

Num. bonds:

17

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

17

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:

17.05

Lipophilicity

ALogP:

0.634

MLogP:

2.23

XLogP:

1.007

Water Solubility

CLogS:

-2.188

Geometric

PPSA-1:

428.245

PNSA-1:

163.201

RPCS:

1.164

RNCS:

0.971

THSA:

520.138

TPSA:

71.308

RHSA:

0.879

RPSA:

0.121

Electrostatic

RPCG:

0.239

RNCG:

0.189

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.294

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

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:

0.711

Gau:

6.176