Molecule ID: mol20071

SMILES: COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2CCN(C)C[C@H]21

InChI: InChI=1S/C18H26N2O2/c1-20-11-10-13-6-5-8-16(15(13)12-20)19-18(21)14-7-3-4-9-17(14)22-2/h3-4,7,9,13,15-16H,5-6,8,10-12H2,1-2H3,(H,19,21)/t13-,15-,16-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization