Molecule ID: mol25877

SMILES: CCOC(O)n1ccnc1

InChI: InChI=1S/C6H10N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-6,9H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.93 AttenGpKa training set 1 » 0
7.17 AttenGpKa training set 1 » 0
9.10 AttenGpKa training set 0 » -1
10.69 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization