Molecule ID: mol34966

SMILES: CC1N=C(c2ccccc2)OC1=O

InChI: InChI=1S/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization