Molecule ID: mol37881

SMILES: CN(C)/N=N/c1ccc(CCCC(=O)O)cc1

InChI: InChI=1S/C12H17N3O2/c1-15(2)14-13-11-8-6-10(7-9-11)4-3-5-12(16)17/h6-9H,3-5H2,1-2H3,(H,16,17)/b14-13+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization