Molecule ID: mol19483

SMILES: CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C

InChI: InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1

Experimental Macro pKa Values

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