Sodium salicylateProduct ingredient for Salicylic acid

Name
Sodium salicylate
Drug Entry
Salicylic acid

A compound obtained from the bark of the white willow and wintergreen leaves, and also prepared synthetically. It has bacteriostatic, fungicidal, and keratolytic actions. Its salts, the salicylates, are used as analgesics.

Accession Number
DBSALT001552
Structure
Synonyms
Salicylate-sodium
UNII
WIQ1H85SYP
CAS Number
54-21-7
Weight
Average: 160.1026
Monoisotopic: 160.013638701
Chemical Formula
C7H5NaO3
InChI Key
ABBQHOQBGMUPJH-UHFFFAOYSA-M
InChI
InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
IUPAC Name
sodium 2-hydroxybenzoate
SMILES
[Na+].OC1=CC=CC=C1C([O-])=O
Human Metabolome Database
HMDB0015470
KEGG Drug
D00566
KEGG Compound
C07587
ChemSpider
5689
ChEBI
9180
ChEMBL
CHEMBL447868
Wikipedia
Sodium_salicylate
Predicted Properties
PropertyValueSource
Water Solubility48.1 mg/mLALOGPS
logP1.36ALOGPS
logP1.98Chemaxon
logS-0.52ALOGPS
pKa (Strongest Acidic)2.79Chemaxon
pKa (Strongest Basic)-6.3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area60.36 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity46.13 m3·mol-1Chemaxon
Polarizability12.38 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon