Molecule ID: mol7074

SMILES: Cn1c(N)nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1=O

InChI: InChI=1S/C11H17N5O8/c1-15-10(21)4(16(22)23)8(14-11(15)12)13-9-7(20)6(19)5(18)3(2-17)24-9/h3,5-7,9,13,17-20H,2H2,1H3,(H2,12,14)/t3-,5-,6+,7-,9-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.29 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization