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Common name


furcarbanil

Formula


C13H13NO2

CAS


28562-70-1

IUPAC name


2,5-dimethyl-N-phenyl-3-furancarboxamide

SMILES


Cc1cc(c(C)o1)C(=Nc1ccccc1)O

INCHI


InChI=1S/C13H13NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)

Physicochemical Properties

Molecular weight:

215.095

Molar refractivity:

68.882

Num. bonds:

17

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

49.03

Lipophilicity

ALogP:

0.893

MLogP:

2.56

XLogP:

1.4

Water Solubility

CLogS:

-3.52

Geometric

PPSA-1:

376.352

PNSA-1:

179.391

RPCS:

2.819

RNCS:

9.584

THSA:

485.573

TPSA:

70.17

RHSA:

0.874

RPSA:

0.126

Electrostatic

RPCG:

0.208

RNCG:

0.279

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.176

AgroPAD

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

13

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

46
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.189

QEF:

0.609

Gau:

6.43255