Molecule ID: mol19858

SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccoc1

InChI: InChI=1S/C21H27N3O2/c1-15-12-18(5-6-20(15)22-21(25)17-8-11-26-14-17)23-10-7-19(13-23)24-9-3-4-16(24)2/h5-6,8,11-12,14,16,19H,3-4,7,9-10,13H2,1-2H3,(H,22,25)/t16-,19-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization