Molecule ID: mol20881

SMILES: O=C(O[C@H]1CC2C[C@@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12

InChI: InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12-,13?,14+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
14.59 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization