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Common name


mercurous chloride

Formula


Cl2Hg2

CAS


7546-30-7

IUPAC name


mercury chloride (Hg2Cl2)

SMILES


[Cl-].[Cl-].[Hg+].[Hg+]

INCHI


InChI=1S/2ClH.2Hg/h2*1H;;/q;;2*+1/p-2

Physicochemical Properties

Molecular weight:

473.879

Molar refractivity:

11.231

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

3.04

Lipophilicity

ALogP:

1.489

MLogP:

1.02

XLogP:

1.024

Water Solubility

CLogS:

-0.216

Geometric

PPSA-1:

239.08

PNSA-1:

257.359

RPCS:

65.593

RNCS:

64.34

THSA:

0

TPSA:

496.44

RHSA:

0

RPSA:

1

Electrostatic

RPCG:

0.5

RNCG:

0.5

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.333

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

0
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.718

QEF:

0.389

Gau:

5.36979