Molecule ID: mol13426

SMILES: CC(=O)Oc1cccc2cccnc12

InChI: InChI=1S/C11H9NO2/c1-8(13)14-10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization