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Common name


flufenoxystrobin

Formula


C19H16ClF3O4

CAS


918162-02-4

IUPAC name


methyl (?E)-2-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-?-(methoxymethylene)benzeneacetate

SMILES


CO/C=C(\c1ccccc1COc1ccc(cc1Cl)C(F)(F)F)/C(=O)OC

INCHI


InChI=1S/C19H16ClF3O4/c1-25-11-15(18(24)26-2)14-6-4-3-5-12(14)10-27-17-8-7-13(9-16(17)20)19(21,22)23/h3-9,11H,10H2,1-2H3/b15-11+

Physicochemical Properties

Molecular weight:

400.069

Molar refractivity:

102.706

Num. bonds:

28

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

27

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

82.08

Lipophilicity

ALogP:

2.808

MLogP:

2.67

XLogP:

3.876

Water Solubility

CLogS:

-5.718

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

41.48

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.286

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

44.76
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.316

QEF:

0.507

Gau:

4.61855