Furo[3,2-c]pyridin-7-ol--hydrogen chloride (1/1)

CAS Number: 1175296-47-5
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Oc1c2occc2cnc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H5NO2
Molecular Weight
135.122
Drug-likeness
-1.9145
CAS
1175296-47-5
InChI key
LSIIQIKBRMBIGT-UHFFFAOYSA-N
SMILES
Oc1c2occc2cnc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1175296-47-5
Molecule Name Furo[3,2-c]pyridin-7-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C7H5NO2
SMILES Oc1c2occc2cnc1.Cl
InChI InChI=1S/C7H5NO2.ClH/c9-6-4-8-3-5-1-2-10-7(5)6;/h1-4,9H;1H
InChI Key LSIIQIKBRMBIGT-UHFFFAOYSA-N
CanonicalSyTyLFy 6827d10b52ae6e5
TotalMolweight 171.583
Molecular Weight 135.122
MonoisotopicMass 135.032029
CLogP 0.7646
CLogS -1.684
H Acceptors 3
H Donors 1
TotalSurfaceArea 102.66
Relative PSA 0.37191
PolarSurfaceArea 46.26
Drug-likeness -1.9145
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecular Complexity 0.77424
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 1

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