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Common name


dichlozoline

Formula


C11H9Cl2NO3

CAS


24201-58-9

IUPAC name


3-(3,5-dichlorophenyl)-5,5-dimethyl-2,4-oxazolidinedione

SMILES


CC1(C)C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)O1

INCHI


InChI=1S/C11H9Cl2NO3/c1-11(2)9(15)14(10(16)17-11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3

Physicochemical Properties

Molecular weight:

272.996

Molar refractivity:

63.719

Num. bonds:

18

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

52.06

Lipophilicity

ALogP:

1.662

MLogP:

2.01

XLogP:

1.798

Water Solubility

CLogS:

-3.622

Geometric

PPSA-1:

249.352

PNSA-1:

340.06

RPCS:

1.805

RNCS:

4.398

THSA:

486.281

TPSA:

103.131

RHSA:

0.825

RPSA:

0.175

Electrostatic

RPCG:

0.275

RNCG:

0.206

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.056

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

43.37
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.93

QEF:

0.763

Gau:

4.52693