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Common name


fluopicolide

Formula


C14H8Cl3F3N2O

CAS


239110-15-7

IUPAC name


2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

SMILES


c1cc(c(c(c1)Cl)C(=NCc1c(cc(cn1)C(F)(F)F)Cl)O)Cl

INCHI


InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)

Physicochemical Properties

Molecular weight:

382.973

Molar refractivity:

86.068

Num. bonds:

24

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

23

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

6

Num. H-bond acc:

2

Num. H-bond donors:

2

Complexity of system:

70.09

Lipophilicity

ALogP:

2.913

MLogP:

2.01

XLogP:

3.162

Water Solubility

CLogS:

-6.378

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.208

AgroPAD

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

17.07
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.248

QEF:

0.41

Gau:

5.87746