Molecule ID: mol19282

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

InChI: InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)

Experimental Macro pKa Values

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