Molecule ID: mol30814

SMILES: Cc1cc(O)c(C(C)C)cc1N=C1C=CC(=O)C=C1

InChI: InChI=1S/C16H17NO2/c1-10(2)14-9-15(11(3)8-16(14)19)17-12-4-6-13(18)7-5-12/h4-10,19H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization