Molecule ID: mol37090

SMILES: N#CCNC(c1ccccc1)C(C=O)C=O

InChI: InChI=1S/C12H12N2O2/c13-6-7-14-12(11(8-15)9-16)10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization