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Common name


pydiflumetofen

Formula


C16H16Cl3F2N3O2

CAS


1228284-64-7

IUPAC name


3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-methyl-2-(2,4,6-trichlorophenyl)ethyl]-1H-pyrazole-4-carboxamide

SMILES


CC(Cc1c(cc(cc1Cl)Cl)Cl)N(C(=O)c1cn(C)nc1C(F)F)OC

INCHI


InChI=1S/C16H16Cl3F2N3O2/c1-8(4-10-12(18)5-9(17)6-13(10)19)24(26-3)16(25)11-7-23(2)22-14(11)15(20)21/h5-8,15H,4H2,1-3H3

Physicochemical Properties

Molecular weight:

425.028

Molar refractivity:

63.206

Num. bonds:

27

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

3

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:

79.1

Lipophilicity

ALogP:

1.909

MLogP:

2.12

XLogP:

4.221

Water Solubility

CLogS:

-5.467

Geometric

PPSA-1:

427.308

PNSA-1:

291.862

RPCS:

0.137

RNCS:

1.999

THSA:

623.379

TPSA:

95.792

RHSA:

0.867

RPSA:

0.133

Electrostatic

RPCG:

0.121

RNCG:

0.137

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.259

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

13

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

47.02
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.455

QEF:

0.522

Gau:

5.3595