Molecule ID: mol5457

SMILES: CCOC(=O)CNc1cccc(Cl)c1

InChI: InChI=1S/C10H12ClNO2/c1-2-14-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,12H,2,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization