Molecule ID: mol6741

SMILES: c1ccc(NC2=NCCCO2)cc1

InChI: InChI=1S/C10H12N2O/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.33 OCHEM 1 » 0
9.33 IUPAC digitized pKa 1 » 0
9.33 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization