Molecule ID: mol6495

SMILES: CC(O)c1ccccn1

InChI: InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.80 IUPAC digitized pKa 1 » 0
4.80 QSARToolbox 1 » 0
14.00 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization