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Common name


kresoxim-methyl

Formula


C18H19NO4

CAS


143390-89-0

IUPAC name


methyl (?E)-?-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate

SMILES


Cc1ccccc1OCc1ccccc1/C(=N\OC)/C(=O)OC

INCHI


InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+

Physicochemical Properties

Molecular weight:

313.131

Molar refractivity:

95.32

Num. bonds:

24

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

23

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

70.05

Lipophilicity

ALogP:

2.127

MLogP:

2.89

XLogP:

2.635

Water Solubility

CLogS:

-4.516

Geometric

PPSA-1:

454.318

PNSA-1:

222.177

RPCS:

0.62

RNCS:

0.989

THSA:

617.949

TPSA:

58.546

RHSA:

0.913

RPSA:

0.087

Electrostatic

RPCG:

0.174

RNCG:

0.189

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.292

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

57.12
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.652

QEF:

0.658

Gau:

5.08709