Responsive image

Common name


promecarb

Formula


C12H17NO2

CAS


2631-37-0

IUPAC name


3-methyl-5-(1-methylethyl)phenyl N-methylcarbamate

SMILES


CC(C)c1cc(C)cc(c1)OC(=O)NC

INCHI


InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)

Physicochemical Properties

Molecular weight:

207.269

Molar refractivity:

62.103

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 :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

15.03

Lipophilicity

ALogP:

1.799

MLogP:

2.45

XLogP:

2.529

Water Solubility

CLogS:

-2.806

Geometric

PPSA-1:

331.59

PNSA-1:

154.663

RPCS:

2.155

RNCS:

5.183

THSA:

399.802

TPSA:

86.451

RHSA:

0.822

RPSA:

0.178

Electrostatic

RPCG:

0.302

RNCG:

0.234

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.267

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

26.3
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.556

QEI:

0.68

Gau:

6.06