Molecule ID: mol29977

SMILES: CC(=O)NC(Cc1ccc(CC(=O)O)cc1)C(=O)NC(CC(C)C)C(N)=O

InChI: InChI=1S/C19H27N3O5/c1-11(2)8-15(18(20)26)22-19(27)16(21-12(3)23)9-13-4-6-14(7-5-13)10-17(24)25/h4-7,11,15-16H,8-10H2,1-3H3,(H2,20,26)(H,21,23)(H,22,27)(H,24,25)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.32 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization