Molecule ID: mol7402

SMILES: CN(C)c1ncc([N+](=O)[O-])c(NC2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n1

InChI: InChI=1S/C12H19N5O8/c1-16(2)11-13-3-5(17(23)24)10(14-11)15-12(22)9(21)8(20)7(19)6(4-18)25-12/h3,6-9,18-22H,4H2,1-2H3,(H,13,14,15)/t6-,7-,8+,9-,12?/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization