Molecule ID: mol12997

SMILES: COCCc1nc(C)c[nH]1

InChI: InChI=1S/C7H12N2O/c1-6-5-8-7(9-6)3-4-10-2/h5H,3-4H2,1-2H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization