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Common name


allyxycarb

Formula


C16H22N2O2

CAS


6392-46-7

IUPAC name


4-(di-2-propen-1-ylamino)-3,5-dimethylphenyl N-methylcarbamate

SMILES


C=CCN(CC=C)c1c(C)cc(cc1C)OC(=O)NC

INCHI


InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)

Physicochemical Properties

Molecular weight:

274.358

Molar refractivity:

85.282

Num. bonds:

20

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

20

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:

20.04

Lipophilicity

ALogP:

2.872

MLogP:

2.78

XLogP:

2.692

Water Solubility

CLogS:

-3.553

Geometric

PPSA-1:

449.638

PNSA-1:

234.183

RPCS:

3.235

RNCS:

0.03

THSA:

591.125

TPSA:

92.695

RHSA:

0.864

RPSA:

0.136

Electrostatic

RPCG:

0.218

RNCG:

0.17

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.4

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

29.54
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.444

QEI:

0.747

Gau:

6.394