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Common name


aldicarb

Formula


C7H14N2O2S

CAS


116-06-3

IUPAC name


2-methyl-2-(methylthio)propanal O-[(methylamino)carbonyl]oxime

SMILES


CC(C)(/C=N/OC(=O)NC)SC

INCHI


InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)

Physicochemical Properties

Molecular weight:

190.263

Molar refractivity:

49.299

Num. bonds:

11

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

11.05

Lipophilicity

ALogP:

1.271

MLogP:

1.68

XLogP:

1.684

Water Solubility

CLogS:

-0.943

Geometric

PPSA-1:

385.667

PNSA-1:

186.686

RPCS:

2.875

RNCS:

7.375

THSA:

524.247

TPSA:

48.106

RHSA:

0.916

RPSA:

0.084

Electrostatic

RPCG:

0.346

RNCG:

0.234

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.455

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

2

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

63.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.897

QEI:

0.682

Gau:

5.671