Molecule ID: mol17715

SMILES: NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)CC1

InChI: InChI=1S/C28H32N4O2/c29-28(11-12-28)26(34)31-24(17-20-18-30-23-8-4-2-6-21(20)23)25(33)32-15-13-27(14-16-32)10-9-19-5-1-3-7-22(19)27/h1-8,18,24,30H,9-17,29H2,(H,31,34)/t24-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization