Molecule ID: mol15734

SMILES: CC(C)(C)C(=O)n1cnc2ccccc21

InChI: InChI=1S/C12H14N2O/c1-12(2,3)11(15)14-8-13-9-6-4-5-7-10(9)14/h4-8H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization