Molecule ID: mol29760

SMILES: C=C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C)c1ccccc1

InChI: InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15-,16+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization