Molecule ID: mol25310

SMILES: Cc1cc(O)[n+](C)n1C

InChI: InChI=1S/C6H10N2O/c1-5-4-6(9)8(3)7(5)2/h4H,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization