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Common name


fluoroimide

Formula


C10H4Cl2FNO2

CAS


41205-21-4

IUPAC name


3,4-dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione

SMILES


c1cc(ccc1F)N1C(=O)C(=C(C1=O)Cl)Cl

INCHI


InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H

Physicochemical Properties

Molecular weight:

258.96

Molar refractivity:

59.047

Num. bonds:

17

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

49.06

Lipophilicity

ALogP:

1.414

MLogP:

1.9

XLogP:

1.461

Water Solubility

CLogS:

-3.5

Geometric

PPSA-1:

208.081

PNSA-1:

385.727

RPCS:

1.846

RNCS:

6.339

THSA:

450.175

TPSA:

143.633

RHSA:

0.758

RPSA:

0.242

Electrostatic

RPCG:

0.213

RNCG:

0.198

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.059

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

34.14
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.918

QEF:

0.847

Gau:

3.85182