Product Ingredient Potassium aminosalicylatefor DB00233 (Aminosalicylic Acid)

Name
Potassium aminosalicylate
Drug
DB00233 (Aminosalicylic Acid)
Accession Number
DBSALT002415
Structure
Thumb
Synonyms
Not Available
UNII
7N21461LKD
CAS Number
133-09-5
Weight
Average: 191.227
Monoisotopic: 190.99847455
Chemical Formula
C7H6KNO3
InChI Key
PRZJIMSXCLZGLT-UHFFFAOYSA-M
InChI
InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
IUPAC Name
potassium 4-amino-2-hydroxybenzoate
SMILES
[K+].NC1=CC=C(C([O-])=O)C(O)=C1
External Links
ChemSpider
8289
ChEMBL
CHEMBL1200584
Predicted Properties
PropertyValueSource
Water Solubility150.0 mg/mLALOGPS
logP1.04ALOGPS
logP0.83ChemAxon
logS-0.1ALOGPS
pKa (Strongest Acidic)3.68ChemAxon
pKa (Strongest Basic)2.19ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area86.38 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity50.83 m3·mol-1ChemAxon
Polarizability13.84 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon