Molecule ID: mol30268

SMILES: NC1=NCC(COCc2ccco2)O1

InChI: InChI=1S/C9H12N2O3/c10-9-11-4-8(14-9)6-12-5-7-2-1-3-13-7/h1-3,8H,4-6H2,(H2,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.55 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization