Molecule ID: mol17896

SMILES: CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1

InChI: InChI=1S/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization