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Common name


chinomethionat

Formula


C10H6N2OS2

CAS


196869

IUPAC name


6-methyl-1,3-dithiolo[4,5-b]quinoxalin-2-one

SMILES


Cc1ccc2c(c1)nc1c(n2)sc(=O)s1

INCHI


InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3

Physicochemical Properties

Molecular weight:

233.992

Molar refractivity:

53.612

Num. bonds:

17

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

79.05

Lipophilicity

ALogP:

2.011

MLogP:

2.01

XLogP:

0.519

Water Solubility

CLogS:

-3.807

Geometric

PPSA-1:

247.574

PNSA-1:

374.5

RPCS:

1.478

RNCS:

13.937

THSA:

530.668

TPSA:

91.405

RHSA:

0.853

RPSA:

0.147

Electrostatic

RPCG:

0.261

RNCG:

0.276

Flexibility

Num. Rot. bonds: 0

0

Frac. of Rot. bonds:

0

AgroPAD

Photostability

Num. arom. bonds:

11

Num. arom. atoms:

10

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

68.15
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.496

QEF:

0.481

Gau:

4.77977