Molecule ID: mol29741

SMILES: O=C/C=C/Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

InChI: InChI=1S/C12H15N3O5/c16-5-1-3-13-10-2-4-15(12(19)14-10)11-6-8(18)9(7-17)20-11/h1-5,8-9,11,17-18H,6-7H2,(H,13,14,19)/b3-1+/t8-,9+,11+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization