Molecule ID: mol14816

SMILES: O[C@H]1[C@H](O)[C@@H](n2cnc3ccccc32)OC[C@@H]1O

InChI: InChI=1S/C12H14N2O4/c15-9-5-18-12(11(17)10(9)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-17H,5H2/t9-,10+,11-,12-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.92 Datawarrior 1 » 0
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Charge States and Microspecies Visualization