Molecule ID: mol17092

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

InChI: InChI=1S/C23H23N5O/c1-15(2)21-22(24)28-23(27-21,18-7-9-20(29-3)10-8-18)19-6-4-5-16(11-19)17-12-25-14-26-13-17/h4-15H,1-3H3,(H2,24,28)

Experimental Macro pKa Values

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