Molecule ID: mol30815

SMILES: Cc1cc(N=C2C=CC(=O)C=C2)c(C(C)C)cc1O

InChI: InChI=1S/C16H17NO2/c1-10(2)14-9-16(19)11(3)8-15(14)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
8.80 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization