8-Methylimidazo[1,2-a]pyridine--hydrogen chloride (1/1)

CAS Number: 10518-86-2
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Cc1cccn2c1ncc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H8N2
Molecular Weight
132.166
Drug-likeness
0.98356
CAS
10518-86-2
InChI key
ZWKYEKQYSKMOES-UHFFFAOYSA-N
SMILES
Cc1cccn2c1ncc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10518-86-2
Molecule Name 8-Methylimidazo[1,2-a]pyridine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H8N2
SMILES Cc1cccn2c1ncc2.Cl
InChI InChI=1S/C8H8N2.ClH/c1-7-3-2-5-10-6-4-9-8(7)10;/h2-6H,1H3;1H
InChI Key ZWKYEKQYSKMOES-UHFFFAOYSA-N
CanonicalSyTyLFy 2973c543125a86b8
TotalMolweight 168.626
Molecular Weight 132.166
MonoisotopicMass 132.068748
CLogP 0.946
CLogS -3.241
H Acceptors 2
TotalSurfaceArea 109.53
Relative PSA 0.17274
PolarSurfaceArea 17.3
Drug-likeness 0.98356
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecular Complexity 0.77424
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 1
Aromatic Nitrogens 2
BasicNitrogens 1

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