Molecule ID: mol29639

SMILES: COc1nc(O)cc[n+]1C1OC(CO)C2OC21

InChI: InChI=1S/C10H12N2O5/c1-15-10-11-6(14)2-3-12(10)9-8-7(17-8)5(4-13)16-9/h2-3,5,7-9,13H,4H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization