Molecule ID: mol24257

SMILES: CNCCc1cccc(O)c1

InChI: InChI=1S/C9H13NO/c1-10-6-5-8-3-2-4-9(11)7-8/h2-4,7,10-11H,5-6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization