Molecule ID: mol29614

SMILES: Nc1nc(=O)ccn1C1OC(CO)C2OC21

InChI: InChI=1S/C9H11N3O4/c10-9-11-5(14)1-2-12(9)8-7-6(16-7)4(3-13)15-8/h1-2,4,6-8,13H,3H2,(H2,10,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization