Molecule ID: mol7498

SMILES: COc1ncc(-c2ccc(C)cc2)cn1

InChI: InChI=1S/C12H12N2O/c1-9-3-5-10(6-4-9)11-7-13-12(15-2)14-8-11/h3-8H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.77 QSARToolbox 1 » 0
0.77 IUPAC digitized pKa 1 » 0
0.77 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization