Responsive image

Common name


furalaxyl

Formula


C17H19NO4

CAS


57646-30-7

IUPAC name


methyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alaninate

SMILES


Cc1cccc(C)c1N(C(C)C(=O)OC)C(=O)c1ccco1

INCHI


InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3

Physicochemical Properties

Molecular weight:

301.131

Molar refractivity:

88.325

Num. bonds:

23

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

67.05

Lipophilicity

ALogP:

0.934

MLogP:

2.78

XLogP:

1.756

Water Solubility

CLogS:

-3.78

Geometric

PPSA-1:

390.686

PNSA-1:

157.756

RPCS:

0.059

RNCS:

2.922

THSA:

488.554

TPSA:

59.888

RHSA:

0.891

RPSA:

0.109

Electrostatic

RPCG:

0.157

RNCG:

0.179

Flexibility

Num. Rot. bonds: 6

6

Frac. of Rot. bonds:

0.261

AgroPAD

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

13

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

61.44
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.589

QEF:

0.697

Gau:

5.4652