Molecule ID: mol11734

SMILES: Cc1ncc(CO)c(C=N[C@H](C(=O)O)[C@@H](C)O)c1O

InChI: InChI=1S/C12H16N2O5/c1-6-11(17)9(8(5-15)3-13-6)4-14-10(7(2)16)12(18)19/h3-4,7,10,15-17H,5H2,1-2H3,(H,18,19)/t7-,10+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.89 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization