Molecule ID: mol26758

SMILES: Nc1ccc2c(Sc3ccc([N+](=O)[O-])cc3)c3ccccc3nc2c1

InChI: InChI=1S/C19H13N3O2S/c20-12-5-10-16-18(11-12)21-17-4-2-1-3-15(17)19(16)25-14-8-6-13(7-9-14)22(23)24/h1-11H,20H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization