Molecule ID: mol20300

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=N[C@@H]1C

InChI: InChI=1S/C21H29N7O2/c1-14-10-25-19(23-9-8-16-6-4-3-5-7-16)20(30)28(14)13-18(29)24-11-17-12-26-21(22)27-15(17)2/h3-7,10,15,17H,8-9,11-13H2,1-2H3,(H,23,25)(H,24,29)(H3,22,26,27)/t15-,17-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
14.00 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization