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Common name


propoxur

Formula


C11H15NO3

CAS


114-26-1

IUPAC name


2-(1-methylethoxy)phenyl N-methylcarbamate

SMILES


CC(C)Oc1ccccc1OC(=O)NC

INCHI


InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Physicochemical Properties

Molecular weight:

209.242

Molar refractivity:

60.915

Num. bonds:

15

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

3

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:

15.04

Lipophilicity

ALogP:

0.426

MLogP:

2.23

XLogP:

1.689

Water Solubility

CLogS:

-2.008

Geometric

PPSA-1:

303.237

PNSA-1:

160.004

RPCS:

1.145

RNCS:

3.143

THSA:

385.884

TPSA:

77.357

RHSA:

0.833

RPSA:

0.167

Electrostatic

RPCG:

0.255

RNCG:

0.253

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

35.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.726

QEI:

0.651

Gau:

6.108