Molecule ID: mol5519

SMILES: CNc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

InChI: InChI=1S/C10H15N3O4/c1-11-8-2-3-13(10(16)12-8)9-4-6(15)7(5-14)17-9/h2-3,6-7,9,14-15H,4-5H2,1H3,(H,11,12,16)/t6-,7+,9+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.97 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization