salicylic acid

Ligand id: 4306

Name: salicylic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.53
Molecular weight 138.03
XLogP 1.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes
IUPAC Name
2-hydroxybenzoic acid
Synonyms
Bazuka Extra Strength Gel®
salicylate
Database Links
CAS Registry No. 69-72-7 (source: Scifinder)
ChEBI CHEBI:16914
ChEMBL Ligand CHEMBL424
DrugBank Ligand DB00936
Human Metabolome Database HMDB01895
PubChem CID 338
RCSB PDB Ligand SAL
Search Google for chemical match using the InChIKey YGSDEFSMJLZEOE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YGSDEFSMJLZEOE
Wikipedia Salicylic_acid
Comments
Chemically, salicylic acid is a monohydroxybenzoic acid, a type of phenolic acid and a beta hydroxy acid. It was oridinally isolated from the inner bark of the willow tree. Clinically, it is an important active metabolite of aspirin.