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Common name


carbaryl

Formula


C12H11NO2

CAS


63-25-2

IUPAC name


1-naphthalenyl N-methylcarbamate

SMILES


CNC(=O)Oc1cccc2ccccc12

INCHI


InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

Physicochemical Properties

Molecular weight:

201.221

Molar refractivity:

62.97

Num. bonds:

16

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

46.03

Lipophilicity

ALogP:

1.519

MLogP:

2.45

XLogP:

1.708

Water Solubility

CLogS:

-2.664

Geometric

PPSA-1:

288.023

PNSA-1:

204.14

RPCS:

2.935

RNCS:

4.103

THSA:

417.591

TPSA:

86.303

RHSA:

0.848

RPSA:

0.152

Electrostatic

RPCG:

0.3

RNCG:

0.232

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.188

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

10

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.308

QEI:

0.576

Gau:

5.574