Molecule ID: mol7522

SMILES: CC(O)(C1=NCCCN1)c1ccccc1

InChI: InChI=1S/C12H16N2O/c1-12(15,10-6-3-2-4-7-10)11-13-8-5-9-14-11/h2-4,6-7,15H,5,8-9H2,1H3,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.49 IUPAC digitized pKa 1 » 0
12.31 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization