Responsive image

Common name


pyroxychlor

Formula


C7H5Cl4NO

CAS


7159-34-4

IUPAC name


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

SMILES


COc1cc(cc(Cl)n1)C(Cl)(Cl)Cl

INCHI


InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3

Physicochemical Properties

Molecular weight:

259.92

Molar refractivity:

55.273

Num. bonds:

13

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

1

Num. oxygen atoms:

1

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:

13.06

Lipophilicity

ALogP:

2.664

MLogP:

1.57

XLogP:

2.666

Water Solubility

CLogS:

-4.366

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 2

2

Frac. of Rot. bonds:

0.154

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

6

TopoPSA:

9.23
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.782

QEF:

0.694

Gau:

6.52407