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Common name


mercuric chloride

Formula


Cl2Hg

CAS


7487-94-7

IUPAC name


mercury chloride (HgCl2)

SMILES


[Cl-].[Cl-].[Hg+2]

INCHI


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

Physicochemical Properties

Molecular weight:

271.908

Molar refractivity:

12.204

Num. bonds:

2

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

3

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:

2.03

Lipophilicity

ALogP:

1.067

MLogP:

1.13

XLogP:

1.161

Water Solubility

CLogS:

-0.216

Geometric

PPSA-1:

107.894

PNSA-1:

240.336

RPCS:

107.894

RNCS:

55.828

THSA:

0

TPSA:

348.23

RHSA:

0

RPSA:

1

Electrostatic

RPCG:

1

RNCG:

0.5

Flexibility

Num. Rot. bonds: 0

0

Frac. of Rot. bonds:

0

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

1

topoDiameter:

2

TopoPSA:

0
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.591

QEF:

0.691

Gau:

4.95409