Molecule ID: mol17834

SMILES: Cc1c(NC2=NCCN2)ccc2c1NCCO2

InChI: InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-3,13H,4-7H2,1H3,(H2,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.10 OCHEM 1 » 0
11.10 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization