Molecule ID: mol14505

SMILES: COc1ccc2c3c([nH]c2c1)C(C)NCC3

InChI: InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
15.60 Datawarrior 0 » -1
15.60 OCHEM 0 » -1
15.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization