Molecule ID: mol15660

SMILES: O=C(O)[C@@H]1O[C@H](Oc2cnc3ccccc3c2)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-7-3-1-2-4-9(7)16-6-8/h1-6,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.00 Datawarrior 1 » 0
3.95 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization