Molecule ID: mol5506

SMILES: CN(C)c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

InChI: InChI=1S/C11H17N3O4/c1-13(2)9-3-4-14(11(17)12-9)10-5-7(16)8(6-15)18-10/h3-4,7-8,10,15-16H,5-6H2,1-2H3/t7-,8+,10+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization