Molecule ID: mol31648

SMILES: CCNCCS/C(=N\O)C(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C12H15N3O4S/c1-2-13-7-8-20-12(14-17)11(16)9-3-5-10(6-4-9)15(18)19/h3-6,13,17H,2,7-8H2,1H3/b14-12-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization