[3H]nicotinic acid   Click here for help

GtoPdb Ligand ID: 1594

Synonyms: [3H]-nicotinic acid
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.19
Molecular weight 123.03
XLogP 0.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1cccnc1
Isomeric SMILES OC(=O)c1cccnc1
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Pyridine-3-carboxylic acid
Synonyms Click here for help
[3H]-nicotinic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL573
DrugCentral Ligand 2835
GtoPdb PubChem SID 135651566
PubChem CID 938
RCSB PDB Ligand NIO
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