Molecule ID: mol6854

SMILES: Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C

InChI: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization