Molecule ID: mol12635

SMILES: C=CC(C)(C)Nc1ccccc1

InChI: InChI=1S/C11H15N/c1-4-11(2,3)12-10-8-6-5-7-9-10/h4-9,12H,1H2,2-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.88 Datawarrior 1 » 0
4.88 OCHEM 1 » 0
9.12 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization