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Common name


fluazinam

Formula


C13H4Cl2F6N4O4

CAS


79622-59-6

IUPAC name


3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine

SMILES


c1c(cnc(c1Cl)Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F

INCHI


InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)

Physicochemical Properties

Molecular weight:

464.959

Molar refractivity:

83.409

Num. bonds:

30

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

4

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

8

Num. H-bond acc:

2

Num. H-bond donors:

2

Complexity of system:

88.16

Lipophilicity

ALogP:

4.281

MLogP:

1.13

XLogP:

6.278

Water Solubility

CLogS:

-6.723

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 6

6

Frac. of Rot. bonds:

0.2

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

98.31
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.008

QEF:

0.21

Gau:

5.35034