Molecule ID: mol4470

SMILES: Cc1cc2cccc(C)c2nc1C

InChI: InChI=1S/C12H13N/c1-8-5-4-6-11-7-9(2)10(3)13-12(8)11/h4-7H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.41 OCHEM 1 » 0
4.41 Datawarrior 1 » 0
4.42 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization