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Common name


butoxycarboxim

Formula


C7H14N2O4S

CAS


34681-23-7

IUPAC name


3-(methylsulfonyl)-2-butanone O-[(methylamino)carbonyl]oxime

SMILES


C/C(=NOC(=O)NC)/C(C)S(=O)(=O)C

INCHI


InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)

Physicochemical Properties

Molecular weight:

222.262

Molar refractivity:

50.077

Num. bonds:

13

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

13.07

Lipophilicity

ALogP:

-0.506

MLogP:

1.46

XLogP:

0.113

Water Solubility

CLogS:

-0.763

Geometric

PPSA-1:

320.7

PNSA-1:

201.58

RPCS:

2.552

RNCS:

6.818

THSA:

390.251

TPSA:

132.029

RHSA:

0.747

RPSA:

0.253

Electrostatic

RPCG:

0.278

RNCG:

0.188

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.385

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

2

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

81.18
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.79

QEI:

0.558

Gau:

5.33