Molecule ID: mol20052

SMILES: CN1C(=O)CC[C@H]1c1cccnc1

InChI: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

Experimental Macro pKa Values

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