Molecule ID: mol25266

SMILES: Cc1cc(O)n(C)n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization