Molecule ID: mol37206

SMILES: O=S(=O)(O)c1ccccc1N=C1CCCN1

InChI: InChI=1S/C10H12N2O3S/c13-16(14,15)9-5-2-1-4-8(9)12-10-6-3-7-11-10/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization