Molecule ID: mol24973

SMILES: CCCC1C(=O)N(c2cccc(O)c2)N(c2cccc(O)c2)C1=O

InChI: InChI=1S/C18H18N2O4/c1-2-5-16-17(23)19(12-6-3-8-14(21)10-12)20(18(16)24)13-7-4-9-15(22)11-13/h3-4,6-11,16,21-22H,2,5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization