Molecule ID: mol27364

SMILES: O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C14H9N3O7/c18-13(9-1-3-10(4-2-9)16(20)21)15-14(19)24-12-7-5-11(6-8-12)17(22)23/h1-8H,(H,15,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization