Molecule ID: mol7779

SMILES: Cc1cccc2noc(C)c12

InChI: InChI=1S/C9H9NO/c1-6-4-3-5-8-9(6)7(2)11-10-8/h3-5H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.22 IUPAC digitized pKa 1 » 0
-1.22 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization