Molecule ID: mol149

SMILES: Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1

InChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.80 OCHEM 0 » -1
9.80 Settimo 0 » -1
9.80 Settimo 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization