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Common name


phenylmercury chloride

Formula


C6H5ClHg

CAS


100-56-1

IUPAC name


chlorophenylmercury

SMILES


c1cc[c]cc1.[Cl-].[Hg+]

INCHI


InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1

Physicochemical Properties

Molecular weight:

313.979

Molar refractivity:

35.899

Num. bonds:

8

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

8

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

8.02

Lipophilicity

ALogP:

1.701

MLogP:

1.9

XLogP:

1.453

Water Solubility

CLogS:

-1.364

Geometric

PPSA-1:

237.786

PNSA-1:

289.532

RPCS:

95.941

RNCS:

84.228

THSA:

214.313

TPSA:

313.004

RHSA:

0.406

RPSA:

0.594

Electrostatic

RPCG:

0.985

RNCG:

0.751

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.125

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

3

topoDiameter:

5

TopoPSA:

0
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.459

QEF:

0.669

Gau:

5.87131