Molecule ID: mol34447

SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1

InChI: InChI=1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization