Molecule ID: mol32183

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

InChI: InChI=1S/C14H19N3O4S/c1-3-16(4-2)9-10-22-14(15-19)13(18)11-5-7-12(8-6-11)17(20)21/h5-8,19H,3-4,9-10H2,1-2H3/b15-14-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization