Molecule ID: mol17090

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

InChI: InChI=1S/C21H19N5O/c1-14-20(22)26-21(25-14,17-6-8-19(27-2)9-7-17)18-5-3-4-15(10-18)16-11-23-13-24-12-16/h3-13H,1-2H3,(H2,22,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization