Responsive image

Common name


pyroxyfur

Formula


C11H7Cl4NO2

CAS


70166-48-2

IUPAC name


2-chloro-6-(2-furanylmethoxy)-4-(trichloromethyl)pyridine

SMILES


c1cc(COc2cc(cc(Cl)n2)C(Cl)(Cl)Cl)oc1

INCHI


InChI=1S/C11H7Cl4NO2/c12-9-4-7(11(13,14)15)5-10(16-9)18-6-8-2-1-3-17-8/h1-5H,6H2

Physicochemical Properties

Molecular weight:

325.931

Molar refractivity:

75.114

Num. bonds:

19

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

55.07

Lipophilicity

ALogP:

2.387

MLogP:

1.9

XLogP:

3.073

Water Solubility

CLogS:

-5.632

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 4

4

Frac. of Rot. bonds:

0.211

AgroPAD

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

22.37
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.602

QEF:

0.62

Gau:

6.28048