Responsive image

Common name


fenarimol

Formula


C17H12Cl2N2O

CAS


60168-88-9

IUPAC name


?-(2-chlorophenyl)-?-(4-chlorophenyl)-5-pyrimidinemethanol

SMILES


c1ccc(c(c1)C(c1ccc(cc1)Cl)(c1cncnc1)O)Cl

INCHI


InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

Physicochemical Properties

Molecular weight:

330.033

Molar refractivity:

97.045

Num. bonds:

24

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

114.05

Lipophilicity

ALogP:

0.889

MLogP:

2.78

XLogP:

0.651

Water Solubility

CLogS:

-5.7

Geometric

PPSA-1:

267.606

PNSA-1:

283.465

RPCS:

1.508

RNCS:

3.356

THSA:

473.044

TPSA:

78.027

RHSA:

0.858

RPSA:

0.142

Electrostatic

RPCG:

0.139

RNCG:

0.247

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.125

AgroPAD

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

46.01
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.293

QEF:

0.481

Gau:

5.59978