Molecule ID: mol20458

SMILES: O=C1NC(=O)C(N2C(=O)c3cccc4cccc(c34)C2=O)N1

InChI: InChI=1S/C15H9N3O4/c19-12-11(16-15(22)17-12)18-13(20)8-5-1-3-7-4-2-6-9(10(7)8)14(18)21/h1-6,11H,(H2,16,17,19,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization