Aniline--mercury (1/1)

CAS Number: 73928-11-7
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Nc1ccccc1.[Hg]
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
Hg.C6H7N
Molecular Weight
93.1286
Drug-likeness
-1.9084
CAS
73928-11-7
InChI key
NUVNIXNCOUTSHN-UHFFFAOYSA-N
SMILES
Nc1ccccc1.[Hg]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 73928-11-7
Molecule Name Aniline--mercury (1/1)
Molecular Formula Hg.C6H7N
SMILES Nc1ccccc1.[Hg]
InChI InChI=1S/C6H7N.Hg/c7-6-4-2-1-3-5-6;/h1-5H,7H2;
InChI Key NUVNIXNCOUTSHN-UHFFFAOYSA-N
CanonicalSyTyLFy e3da35d7280d4f45
TotalMolweight 293.719
Molecular Weight 93.1286
MonoisotopicMass 93.057849
CLogP 0.9823
CLogS -1.692
H Acceptors 1
H Donors 1
TotalSurfaceArea 81.78
Relative PSA 0.18672
PolarSurfaceArea 26.02
Drug-likeness -1.9084
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.71429
Molecular Complexity 0.64864
Fragments 2
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2
Amines 1
Aromatic Amines 1

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