Molecule ID: mol15728

SMILES: CCCc1nc2cc(OCC)ccc2[nH]1

InChI: InChI=1S/C12H16N2O/c1-3-5-12-13-10-7-6-9(15-4-2)8-11(10)14-12/h6-8H,3-5H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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