Molecule ID: mol34870

SMILES: COc1cccnc1C(=O)NC12CC3CC(CC(C3)C1)C2

InChI: InChI=1S/C17H22N2O2/c1-21-14-3-2-4-18-15(14)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h2-4,11-13H,5-10H2,1H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization