Molecule ID: euroSAMPL-19

SMILES: Cc1nc2ccccn2c1CO

InChI: InChI=1S/C9H10N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-5,12H,6H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.76 euroSAMPL1 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization