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Common name


iprodione

Formula


C13H13Cl2N3O3

CAS


36734-19-7

IUPAC name


3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide

SMILES


CC(C)N=C(N1CC(=O)N(c2cc(cc(c2)Cl)Cl)C1=O)O

INCHI


InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

Physicochemical Properties

Molecular weight:

329.033

Molar refractivity:

71.209

Num. bonds:

22

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

6

Num. H-bond donors:

1

Complexity of system:

64.08

Lipophilicity

ALogP:

-0.172

MLogP:

2.01

XLogP:

1.846

Water Solubility

CLogS:

-2.771

Geometric

PPSA-1:

317.244

PNSA-1:

295.762

RPCS:

1.307

RNCS:

0.333

THSA:

492.114

TPSA:

120.892

RHSA:

0.803

RPSA:

0.197

Electrostatic

RPCG:

0.174

RNCG:

0.172

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.136

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

51.21
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.576

QEF:

0.512

Gau:

5.53223