Responsive image

Common name


pyrifenox

Formula


C14H12Cl2N2O

CAS


88283-41-4

IUPAC name


1-(2,4-dichlorophenyl)-2-(3-pyridinyl)ethanone O-methyloxime

SMILES


CON=C(Cc1cccnc1)c1ccc(cc1Cl)Cl

INCHI


InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3

Physicochemical Properties

Molecular weight:

295.04

Molar refractivity:

81.178

Num. bonds:

20

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

58.05

Lipophilicity

ALogP:

1.317

MLogP:

2.45

XLogP:

2.465

Water Solubility

CLogS:

-5.331

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 4

4

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:

5

topoDiameter:

10

TopoPSA:

21.59
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.804

QEF:

0.644

Gau:

5.83246