Molecule ID: mol14576

SMILES: CCOc1ccc(Nc2ccccc2)cc1

InChI: InChI=1S/C14H15NO/c1-2-16-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h3-11,15H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.27 AttenGpKa training set 1 » 0
1.41 Datawarrior 1 » 0
1.41 OCHEM 1 » 0
1.48 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization