Molecule ID: mol14985

SMILES: OC[C@@H]1O[C@H]([n+]2ccc(NO)nc2O)[C@@H](O)[C@H]1O

InChI: InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16,17)/p+1/t4-,6-,7-,8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.26 Datawarrior 1 » 0
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Charge States and Microspecies Visualization