Molecule ID: mol21067

SMILES: COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1

InChI: InChI=1S/C23H20N6O/c1-15-10-21-23(27-22(24)29(21)28-15,18-6-8-20(30-2)9-7-18)19-5-3-4-16(11-19)17-12-25-14-26-13-17/h3-14H,1-2H3,(H2,24,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.40 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization