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Common name


ethiofencarb

Formula


C11H15NO2S

CAS


29973-13-5

IUPAC name


2-[(ethylthio)methyl]phenyl N-methylcarbamate

SMILES


CCSCc1ccccc1OC(=O)NC

INCHI


InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)

Physicochemical Properties

Molecular weight:

225.307

Molar refractivity:

66.049

Num. bonds:

15

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

15.04

Lipophilicity

ALogP:

1.734

MLogP:

2.23

XLogP:

1.824

Water Solubility

CLogS:

-2.753

Geometric

PPSA-1:

323.366

PNSA-1:

155.84

RPCS:

1.185

RNCS:

3.406

THSA:

415.355

TPSA:

63.85

RHSA:

0.867

RPSA:

0.133

Electrostatic

RPCG:

0.288

RNCG:

0.223

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.4

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

51.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.576

QEI:

0.748

Gau:

6.621