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Common name


dichlofluanid

Formula


C9H11Cl2FN2O2S2

CAS


1085-98-9

IUPAC name


1,1-dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-phenylmethanesulfenamide

SMILES


CN(C)S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F

INCHI


InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3

Physicochemical Properties

Molecular weight:

331.962

Molar refractivity:

79.19

Num. bonds:

18

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

18

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:

18.09

Lipophilicity

ALogP:

3.116

MLogP:

1.46

XLogP:

2.813

Water Solubility

CLogS:

-2.655

Geometric

PPSA-1:

302.417

PNSA-1:

278.833

RPCS:

0

RNCS:

1.176

THSA:

558.63

TPSA:

13.743

RHSA:

0.961

RPSA:

0.039

Electrostatic

RPCG:

0.285

RNCG:

0.148

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.278

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

74.3
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.567

QEF:

0.628

Gau:

5.52226