Molecule ID: mol18930

SMILES: N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12

InChI: InChI=1S/C17H20N2O4/c18-9-19-13-6-11(7-14(19)16-15(13)23-16)22-17(21)12(8-20)10-4-2-1-3-5-10/h1-5,9,11-16,18,20H,6-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization