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Common name


fenoxycarb

Formula


C17H19NO4

CAS


72490-01-8 (formerly 79127-80-3)

IUPAC name


ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate

SMILES


CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O

INCHI


InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

Physicochemical Properties

Molecular weight:

301.337

Molar refractivity:

92.189

Num. bonds:

23

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

1

Num. oxygen atoms:

4

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:

67.05

Lipophilicity

ALogP:

1.779

MLogP:

2.78

XLogP:

2.704

Water Solubility

CLogS:

-3.882

Geometric

PPSA-1:

546.4

PNSA-1:

242.672

RPCS:

2.688

RNCS:

1.941

THSA:

660.949

TPSA:

128.123

RHSA:

0.838

RPSA:

0.162

Electrostatic

RPCG:

0.144

RNCG:

0.178

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.348

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

60.28
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.184

QEI:

0.712

Gau:

6.396