Molecule ID: mol19693

SMILES: COc1cc2nc(N3CCc4ncccc4C3)nc(N)c2c(-c2ncccn2)c1OC

InChI: InChI=1S/C22H21N7O2/c1-30-16-11-15-17(18(19(16)31-2)21-25-8-4-9-26-21)20(23)28-22(27-15)29-10-6-14-13(12-29)5-3-7-24-14/h3-5,7-9,11H,6,10,12H2,1-2H3,(H2,23,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.50 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization