Molecule ID: mol111

SMILES: CCN(CC)C(=O)Nc1ccc(OCC(O)CNC)c(C(C)=O)c1

InChI: InChI=1S/C17H27N3O4/c1-5-20(6-2)17(23)19-13-7-8-16(15(9-13)12(3)21)24-11-14(22)10-18-4/h7-9,14,18,22H,5-6,10-11H2,1-4H3,(H,19,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization