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 1.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
2-hydroxybenzoic acid
Synonyms
Bazuka Extra Strength Gel® | salicylate
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.
Database Links
CAS Registry No. 69-72-7 (source: Scifinder)
ChEBI CHEBI:16914
ChEMBL Ligand CHEMBL424
DrugBank Ligand DB00936
GtoPdb PubChem SID 178101123
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
Search UniChem for chemical match using the InChIKey YGSDEFSMJLZEOE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YGSDEFSMJLZEOE
Wikipedia Salicylic_acid