Responsive image

Common name


oxadixyl

Formula


C14H18N2O4

CAS


77732-09-3

IUPAC name


N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamide

SMILES


Cc1cccc(C)c1N(C(=O)COC)N1CCOC1=O

INCHI


InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3

Physicochemical Properties

Molecular weight:

278.127

Molar refractivity:

66.699

Num. bonds:

21

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

0

Complexity of system:

61.06

Lipophilicity

ALogP:

0.869

MLogP:

2.34

XLogP:

-0.556

Water Solubility

CLogS:

-2.329

Geometric

PPSA-1:

359.917

PNSA-1:

187.152

RPCS:

0.861

RNCS:

3.109

THSA:

447.155

TPSA:

99.913

RHSA:

0.817

RPSA:

0.183

Electrostatic

RPCG:

0.2

RNCG:

0.196

Flexibility

Num. Rot. bonds: 4

4

Frac. of Rot. bonds:

0.19

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

52.6
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.363

QEF:

0.601

Gau:

6.23905