Molecule ID: mol19923

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3cc([N+](=O)[O-])ccc23)cc1

InChI: InChI=1S/C20H15N5O6S/c1-32(30,31)23-13-4-2-12(3-5-13)21-20-16-8-6-14(24(26)27)10-18(16)22-19-11-15(25(28)29)7-9-17(19)20/h2-11,23H,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization