(2-Iodoethyl)(methyl)mercury

CAS Number: 183428-22-0
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C[Hg]CCI
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C3H7HgI
Molecular Weight
370.579
Drug-likeness
-2.71
CAS
183428-22-0
InChI key
UNYCYAXAYZIRNL-UHFFFAOYSA-N
SMILES
C[Hg]CCI
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 183428-22-0
Molecule Name (2-Iodoethyl)(methyl)mercury
Molecular Formula C3H7HgI
SMILES C[Hg]CCI
InChI InChI=1S/C2H4I.CH3.Hg/c1-2-3;;/h1-2H2;1H3;
InChI Key UNYCYAXAYZIRNL-UHFFFAOYSA-N
CanonicalSyTyLFy 28af14a04ce2f93a
TotalMolweight 370.579
Molecular Weight 370.579
MonoisotopicMass 371.929865
CLogP 2.2577
CLogS -3.325
TotalSurfaceArea 79.56
Drug-likeness -2.71
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant low
Nasty Functions prim. alkyl-bromide/iodide; unwa
Shape Index 1
Molecula Flexibility 0.78535
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 5
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 2
Sp3Atoms 3

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