Molecule ID: euroSAMPL-09

SMILES: CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1

InChI: InChI=1S/C16H22N2O3/c1-16(2,3)15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.40 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization