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Common name


fenoxanil

Formula


C15H18Cl2N2O2

CAS


115852-48-7

IUPAC name


N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propanamide

SMILES


CC(C)C(C)(C#N)N=C(C(C)Oc1ccc(cc1Cl)Cl)O

INCHI


InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)

Physicochemical Properties

Molecular weight:

328.075

Molar refractivity:

86.5

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

1

Num. heavy atoms:

21

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

21.06

Lipophilicity

ALogP:

1.562

MLogP:

2.45

XLogP:

2.692

Water Solubility

CLogS:

-4.189

Geometric

PPSA-1:

359.426

PNSA-1:

291.446

RPCS:

0.395

RNCS:

0.521

THSA:

572.331

TPSA:

92.012

RHSA:

0.879

RPSA:

0.121

Electrostatic

RPCG:

0.141

RNCG:

0.203

Flexibility

Num. Rot. bonds: 6

6

Frac. of Rot. bonds:

0.286

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

50.09
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.658

QEF:

0.679

Gau:

4.92383