Molecule ID: mol21075

SMILES: COc1ccc(C2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1

InChI: InChI=1S/C21H20N4O/c1-26-19-7-5-17(6-8-19)21(10-9-20(22)25-21)18-4-2-3-15(11-18)16-12-23-14-24-13-16/h2-8,11-14H,9-10H2,1H3,(H2,22,25)

Experimental Macro pKa Values

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