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Common name


cyazofamid

Formula


C13H13ClN4O2S

CAS


120116-88-3

IUPAC name


4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide

SMILES


Cc1ccc(cc1)c1c(Cl)nc(C#N)n1S(=O)(=O)N(C)C

INCHI


InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3

Physicochemical Properties

Molecular weight:

324.045

Molar refractivity:

85.273

Num. bonds:

22

Num. double bonds:

7

Num. triple bonds:

1

Num. heavy atoms:

21

Num. nitrogen atom:

4

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

6

Num. H-bond donors:

0

Complexity of system:

64.08

Lipophilicity

ALogP:

0.996

MLogP:

2.01

XLogP:

1.799

Water Solubility

CLogS:

-3.424

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

82.784

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.136

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

11

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

87.37
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.511

QEF:

0.543

Gau:

1.88279