Imidazo[1,2-a]pyridin-8-ol--hydrogen chloride (1/1)

CAS Number: 100592-11-8
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Oc1cccn2c1ncc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H6N2O
Molecular Weight
134.138
Drug-likeness
1.2845
CAS
100592-11-8
InChI key
NYKPDOMWNWJIRI-UHFFFAOYSA-N
SMILES
Oc1cccn2c1ncc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100592-11-8
Molecule Name Imidazo[1,2-a]pyridin-8-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C7H6N2O
SMILES Oc1cccn2c1ncc2.Cl
InChI InChI=1S/C7H6N2O.ClH/c10-6-2-1-4-9-5-3-8-7(6)9;/h1-5,10H;1H
InChI Key NYKPDOMWNWJIRI-UHFFFAOYSA-N
CanonicalSyTyLFy 76f96c7ec34c3db8
TotalMolweight 170.599
Molecular Weight 134.138
MonoisotopicMass 134.048013
CLogP 0.2564
CLogS -2.601
H Acceptors 3
H Donors 1
TotalSurfaceArea 103.62
Relative PSA 0.30901
PolarSurfaceArea 37.53
Drug-likeness 1.2845
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecular Complexity 0.76133
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 1
Aromatic Nitrogens 2
BasicNitrogens 1

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