Molecule ID: mol25369

SMILES: COC(=O)Cn1ccnc1C

InChI: InChI=1S/C7H10N2O2/c1-6-8-3-4-9(6)5-7(10)11-2/h3-4H,5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization