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Common name


XMC

Formula


C10H13NO2

CAS


2655-14-3

IUPAC name


3,5-dimethylphenyl N-methylcarbamate

SMILES


Cc1cc(C)cc(c1)OC(=O)NC

INCHI


InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)

Physicochemical Properties

Molecular weight:

179.216

Molar refractivity:

53.337

Num. bonds:

13

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

13

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:

13.03

Lipophilicity

ALogP:

1.868

MLogP:

2.23

XLogP:

1.561

Water Solubility

CLogS:

-2.362

Geometric

PPSA-1:

286.018

PNSA-1:

157.604

RPCS:

2.347

RNCS:

5.644

THSA:

354.608

TPSA:

89.014

RHSA:

0.799

RPSA:

0.201

Electrostatic

RPCG:

0.329

RNCG:

0.255

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.231

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.596

QEI:

0.62

Gau:

5.662