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Common name


quinoxyfen

Formula


C15H8Cl2FNO

CAS


124495-18-7

IUPAC name


5,7-dichloro-4-(4-fluorophenoxy)quinoline

SMILES


c1cc(ccc1F)Oc1ccnc2cc(cc(c12)Cl)Cl

INCHI


InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H

Physicochemical Properties

Molecular weight:

308.005

Molar refractivity:

84.948

Num. bonds:

22

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

104.05

Lipophilicity

ALogP:

1.956

MLogP:

2.56

XLogP:

3.299

Water Solubility

CLogS:

-6.244

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 2

2

Frac. of Rot. bonds:

0.091

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

9.23
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.518

QEF:

0.465

Gau:

5.99876