(1)Benzofuro(3,2-b)pyridin-8-amine

CAS Number: 84499-38-7
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Nc(cc1)cc2c1oc1c2nccc1
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C11H8N2O
Molecular Weight
184.198
Drug-likeness
-1.8055
CAS
84499-38-7
InChI key
IIPGHNASKDJBFM-UHFFFAOYSA-N
SMILES
Nc(cc1)cc2c1oc1c2nccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 84499-38-7
Molecule Name (1)Benzofuro(3,2-b)pyridin-8-amine
Molecular Formula C11H8N2O
SMILES Nc(cc1)cc2c1oc1c2nccc1
InChI InChI=1S/C11H8N2O/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H,12H2
InChI Key IIPGHNASKDJBFM-UHFFFAOYSA-N
CanonicalSyTyLFy 9936f3db9bb7cfc0
TotalMolweight 184.198
Molecular Weight 184.198
MonoisotopicMass 184.063663
CLogP 1.8724
CLogS -3.452
H Acceptors 3
H Donors 1
TotalSurfaceArea 139.43
Relative PSA 0.28939
PolarSurfaceArea 52.05
Drug-likeness -1.8055
Mutagenic low
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecular Complexity 0.78472
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 13
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 1

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