Potassium pyridin-4-ide

CAS Number: 91238-51-6
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[c-]1ccncc1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C5H4N
Molecular Weight
78.0938
Drug-likeness
-1.8447
CAS
91238-51-6
InChI key
DFXXXKNBIKMSKY-UHFFFAOYSA-N
SMILES
[c-]1ccncc1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 91238-51-6
Molecule Name Potassium pyridin-4-ide
Molecular Formula K.C5H4N
SMILES [c-]1ccncc1.[K+]
InChI InChI=1S/C5H4N.K/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1
InChI Key DFXXXKNBIKMSKY-UHFFFAOYSA-N
CanonicalSyTyLFy d6ec9a46ee03662e
TotalMolweight 117.192
Molecular Weight 78.0938
MonoisotopicMass 78.034374
CLogP 0.3821
CLogS -0.821
H Acceptors 1
TotalSurfaceArea 64.9
Relative PSA 0.16903
PolarSurfaceArea 12.89
Drug-likeness -1.8447
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2
Aromatic Nitrogens 1

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