Molecule ID: mol19862

SMILES: Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc2ccccc12

InChI: InChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization