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Common name


flumetover

Formula


C19H20F3NO3

CAS


154025-04-4

IUPAC name


2-(3,4-dimethoxyphenyl)-N-ethyl-?,?,?-trifluoro-N-methyl-p-toluamide

SMILES


CCN(C)C(=O)c1ccc(cc1c1ccc(c(c1)OC)OC)C(F)(F)F

INCHI


InChI=1S/C19H20F3NO3/c1-5-23(2)18(24)14-8-7-13(19(20,21)22)11-15(14)12-6-9-16(25-3)17(10-12)26-4/h6-11H,5H2,1-4H3

Physicochemical Properties

Molecular weight:

367.14

Molar refractivity:

99.882

Num. bonds:

27

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

79.07

Lipophilicity

ALogP:

1.946

MLogP:

2.78

XLogP:

2.634

Water Solubility

CLogS:

-5.561

Geometric

PPSA-1:

491.947

PNSA-1:

284.921

RPCS:

0

RNCS:

2.762

THSA:

708.241

TPSA:

107.27

RHSA:

0.912

RPSA:

0.088

Electrostatic

RPCG:

0.206

RNCG:

0.171

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.259

AgroPAD

Photostability

Num. arom. bonds:

15

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

35.53
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.495

QEF:

0.644

Gau:

6.00927