Potassium 9H-indeno[2,1-b]pyridin-9-ide

CAS Number: 88223-38-5
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[cH-]1c2ncccc2c2c1cccc2.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C12H8N
Molecular Weight
166.203
Drug-likeness
-1.8447
CAS
88223-38-5
InChI key
WZOLFLVBPACATN-UHFFFAOYSA-N
SMILES
[cH-]1c2ncccc2c2c1cccc2.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 88223-38-5
Molecule Name Potassium 9H-indeno[2,1-b]pyridin-9-ide
Molecular Formula K.C12H8N
SMILES [cH-]1c2ncccc2c2c1cccc2.[K+]
InChI InChI=1S/C12H8N.K/c1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12;/h1-8H;/q-1;+1
InChI Key WZOLFLVBPACATN-UHFFFAOYSA-N
CanonicalSyTyLFy 35c77f5369ea88dd
TotalMolweight 205.301
Molecular Weight 166.203
MonoisotopicMass 166.065674
CLogP 2.6168
CLogS -3.747
H Acceptors 1
TotalSurfaceArea 129.01
Relative PSA 0.085032
PolarSurfaceArea 12.89
Drug-likeness -1.8447
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecular Complexity 0.72942
Fragments 2
Non HAtoms 13
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 13
Sp3Atoms 1
Aromatic Nitrogens 1

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