Molecule ID: mol16082

SMILES: O=C1NC[C@@H](c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2

InChI: InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22?,23-,24?/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization