nicotinic acid

Ligand id: 1588

Name: nicotinic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.19
Molecular weight 123.03
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
Pyridine-3-carboxylic acid
International Nonproprietary Names
INN number INN
373 nicotinic acid
Synonyms
niacin | nicotinate | vitamin B3 | vitamin PP
Database Links
CAS Registry No. 59-67-6
ChEBI CHEBI:15940
ChEMBL Ligand CHEMBL573
DrugBank Ligand DB00627
PubChem CID 938
RCSB PDB Ligand NIO
Search Google for chemical match using the InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PVNIIMVLHYAWGP
Search PubMed clinical trials nicotinic acid
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Search UniChem for chemical match using the InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PVNIIMVLHYAWGP
Wikipedia Niacin