Molecule ID: mol31231

SMILES: N#CC(O)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C14H11NO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.10 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization