Molecule ID: mol7042

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

InChI: InChI=1S/C12H21N5O5/c1-17(2)12-14-3-5(13)10(16-12)15-11-9(21)8(20)7(19)6(4-18)22-11/h3,6-9,11,18-21H,4,13H2,1-2H3,(H,14,15,16)/t6-,7-,8+,9-,11-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization