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Common name


aminocarb

Formula


C11H16N2O2

CAS


2032-59-9

IUPAC name


4-(dimethylamino)-3-methylphenyl N-methylcarbamate

SMILES


Cc1cc(ccc1N(C)C)OC(=O)NC

INCHI


InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)

Physicochemical Properties

Molecular weight:

208.257

Molar refractivity:

62.674

Num. bonds:

15

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

2

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:

15.04

Lipophilicity

ALogP:

1.192

MLogP:

2.23

XLogP:

1.281

Water Solubility

CLogS:

-2.094

Geometric

PPSA-1:

341.046

PNSA-1:

168.249

RPCS:

4.804

RNCS:

0.245

THSA:

406.931

TPSA:

102.364

RHSA:

0.799

RPSA:

0.201

Electrostatic

RPCG:

0.281

RNCG:

0.231

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.267

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

29.54
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.489

QEI:

0.687

Gau:

5.96