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Common name


picoxystrobin

Formula


C18H16F3NO4

CAS


117428-22-5

IUPAC name


methyl (?E)-2-[[[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy]methyl]-?-(methoxymethylene)benzeneacetate

SMILES


CO/C=C(\c1ccccc1COc1cccc(C(F)(F)F)n1)/C(=O)OC

INCHI


InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+

Physicochemical Properties

Molecular weight:

367.103

Molar refractivity:

94.132

Num. bonds:

27

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

79.08

Lipophilicity

ALogP:

2.411

MLogP:

2.56

XLogP:

2.6

Water Solubility

CLogS:

-4.756

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

45.157

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.296

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

57.65
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.42

QEF:

0.524

Gau:

3.02541