Molecule ID: mol17714

SMILES: CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1

InChI: InChI=1S/C28H34N4O2/c1-27(2,29)26(34)31-24(17-20-18-30-23-10-6-4-8-21(20)23)25(33)32-15-13-28(14-16-32)12-11-19-7-3-5-9-22(19)28/h3-10,18,24,30H,11-17,29H2,1-2H3,(H,31,34)/t24-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization