Molecule ID: mol34874

SMILES: COc1cccnc1C(=O)Nc1ccccc1

InChI: InChI=1S/C13H12N2O2/c1-17-11-8-5-9-14-12(11)13(16)15-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization