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Common name


tolylfluanid

Formula


C10H13Cl2FN2O2S2

CAS


731-27-1

IUPAC name


1,1-dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-(4-methylphenyl)methanesulfenamide

SMILES


Cc1ccc(cc1)N(SC(Cl)(Cl)F)S(=O)(=O)N(C)C

INCHI


InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3

Physicochemical Properties

Molecular weight:

345.978

Molar refractivity:

83.472

Num. bonds:

19

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

19.09

Lipophilicity

ALogP:

3.563

MLogP:

1.57

XLogP:

3.205

Water Solubility

CLogS:

-3.185

Geometric

PPSA-1:

343.255

PNSA-1:

292.461

RPCS:

0

RNCS:

0.155

THSA:

634.912

TPSA:

65.822

RHSA:

0.999

RPSA:

0.001

Electrostatic

RPCG:

0.28

RNCG:

0.146

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.263

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

74.3
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.567

QEF:

0.59

Gau:

5.37188