Molecule ID: mol12614

SMILES: CC(C)(C)CC(=O)n1ccnc1

InChI: InChI=1S/C9H14N2O/c1-9(2,3)6-8(12)11-5-4-10-7-11/h4-5,7H,6H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization