Molecule ID: mol20136

SMILES: CC(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(O)cc1O

InChI: InChI=1S/C24H30N2O4/c1-15(2)19-11-20(22(28)12-21(19)27)23(29)26-13-16-4-5-18(10-17(16)14-26)24(30)6-8-25(3)9-7-24/h4-5,10-12,15,27-28,30H,6-9,13-14H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.40 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization