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Common name


fenaminosulf

Formula


C8H10N3NaO3S

CAS


140-56-7

IUPAC name


sodium 2-[4-(dimethylamino)phenyl]-1-diazenesulfonate

SMILES


CN(C)c1ccc(cc1)N=NS(=O)(=O)[O-].[Na+]

INCHI


InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1

Physicochemical Properties

Molecular weight:

229.052

Molar refractivity:

57.322

Num. bonds:

15

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

1

Complexity of system:

15.07

Lipophilicity

ALogP:

-0.325

MLogP:

1.57

XLogP:

0.894

Water Solubility

CLogS:

-1.984

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.2

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

90.71
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.626

QEF:

0.459

Gau:

4.94591