Molecule ID: mol29476

SMILES: CON(C)c1ccnc(C(=O)N2CCCC2C(=O)O)c1

InChI: InChI=1S/C13H17N3O4/c1-15(20-2)9-5-6-14-10(8-9)12(17)16-7-3-4-11(16)13(18)19/h5-6,8,11H,3-4,7H2,1-2H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization