Molecule ID: mol7073

SMILES: Cn1c(N)nc(NC2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1=O

InChI: InChI=1S/C11H17N5O9/c1-15-9(21)4(16(23)24)8(13-10(15)12)14-11(22)7(20)6(19)5(18)3(2-17)25-11/h3,5-7,14,17-20,22H,2H2,1H3,(H2,12,13)/t3-,5-,6+,7-,11?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.89 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization