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Common name


triarimol

Formula


C17H12Cl2N2O

CAS


26766-27-8

IUPAC name


?-(2,4-dichlorophenyl)-?-phenyl-5-pyrimidinemethanol

SMILES


c1ccc(cc1)C(c1cncnc1)(c1ccc(cc1Cl)Cl)O

INCHI


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

1.073

Water Solubility

CLogS:

-5.7

Geometric

PPSA-1:

248.847

PNSA-1:

284.994

RPCS:

1.286

RNCS:

3.691

THSA:

458.257

TPSA:

75.584

RHSA:

0.858

RPSA:

0.142

Electrostatic

RPCG:

0.139

RNCG:

0.246

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
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.293

QEF:

0.481

Gau:

5.44551