Phenylmercuric chloride

CAS Number: 100-56-1
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Cl[Hg]c1ccccc1
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: low
Formula
C6H5ClHg
Molecular Weight
313.149
Drug-likeness
-2.3575
CAS
100-56-1
InChI key
AWGTVRDHKJQFAX-UHFFFAOYSA-M
SMILES
Cl[Hg]c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 100-56-1
Molecule Name Phenylmercuric chloride
Molecular Formula C6H5ClHg
SMILES Cl[Hg]c1ccccc1
InChI InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
InChI Key AWGTVRDHKJQFAX-UHFFFAOYSA-M
CanonicalSyTyLFy 6b4a0fe274844602
TotalMolweight 313.149
Molecular Weight 313.149
MonoisotopicMass 313.978594
CLogP 1.383
CLogS -2.136
TotalSurfaceArea 88.68
Drug-likeness -2.3575
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.75
Molecula Flexibility 0.30873
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2

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