Molecule ID: mol25268

SMILES: Cc1cnn(C)c1O

InChI: InChI=1S/C5H8N2O/c1-4-3-6-7(2)5(4)8/h3,8H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization