Molecule ID: mol114

SMILES: Oc1ccc2c3c1O[C@H]1C(O)C=C[C@H]4[C@@H](C2)NCC[C@]314

InChI: InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12?,15-,16-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.80 Settimo 0 » -1
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Charge States and Microspecies Visualization