Molecule ID: mol7394

SMILES: CN(C)c1nccc(=O)n1C

InChI: InChI=1S/C7H11N3O/c1-9(2)7-8-5-4-6(11)10(7)3/h4-5H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.46 IUPAC digitized pKa 1 » 0
3.49 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization