Molecule ID: mol32622

SMILES: OCC1OC(n2cnc3ccccc32)C(O)C(O)C1O

InChI: InChI=1S/C13H16N2O5/c16-5-9-10(17)11(18)12(19)13(20-9)15-6-14-7-3-1-2-4-8(7)15/h1-4,6,9-13,16-19H,5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization