Molecule ID: mol36433

SMILES: CN(CCCNC(=O)C=NO)Cc1ccccc1

InChI: InChI=1S/C13H19N3O2/c1-16(11-12-6-3-2-4-7-12)9-5-8-14-13(17)10-15-18/h2-4,6-7,10,18H,5,8-9,11H2,1H3,(H,14,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization