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Common name


methfuroxam

Formula


C14H15NO2

CAS


28730-17-8

IUPAC name


2,4,5-trimethyl-N-phenyl-3-furancarboxamide

SMILES


Cc1c(C)oc(C)c1C(=Nc1ccccc1)O

INCHI


InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)

Physicochemical Properties

Molecular weight:

229.11

Molar refractivity:

73.164

Num. bonds:

18

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

17

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:

52.03

Lipophilicity

ALogP:

1.34

MLogP:

2.67

XLogP:

1.581

Water Solubility

CLogS:

-4.059

Geometric

PPSA-1:

409.233

PNSA-1:

184.5

RPCS:

0

RNCS:

6.399

THSA:

544.84

TPSA:

48.893

RHSA:

0.918

RPSA:

0.082

Electrostatic

RPCG:

0.204

RNCG:

0.272

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.167

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:

0.612

Gau:

6.56145