Molecule ID: mol19343

SMILES: Cc1cccc(C)c1NC(=O)CC(C)N

InChI: InChI=1S/C12H18N2O/c1-8-5-4-6-9(2)12(8)14-11(15)7-10(3)13/h4-6,10H,7,13H2,1-3H3,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.71 OCHEM 1 » 0
8.71 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization