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Common name


cyflufenamid

Formula


C20H17F5N2O2

CAS


180409-60-3

IUPAC name


[N(Z)]-N-[[(cyclopropylmethoxy)amino][2,3-difluoro-6-(trifluoromethyl)phenyl]methylene]benzeneacetamide

SMILES


c1ccc(cc1)CC(=O)N/C(=N\OCC1CC1)/c1c(ccc(c1F)F)C(F)(F)F

INCHI


InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)/f/h26H/b27-19-

Physicochemical Properties

Molecular weight:

412.121

Molar refractivity:

100.969

Num. bonds:

31

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

5

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

149.09

Lipophilicity

ALogP:

1.989

MLogP:

2.67

XLogP:

4.165

Water Solubility

CLogS:

-6.454

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

93.816

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 9

9

Frac. of Rot. bonds:

0.29

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

50.69
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.322

QEF:

0.419

Gau:

6.15657