Molecule ID: mol37671

SMILES: O=C=CC=CCNCCNCC=CC=C=O

InChI: InChI=1S/C12H16N2O2/c15-11-5-1-3-7-13-9-10-14-8-4-2-6-12-16/h1-6,13-14H,7-10H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.74 QSARToolbox 2 » 1
8.61 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization