Molecule ID: mol2710

SMILES: O=C1CCCC(=O)C1C(=O)c1ccccc1Cl

InChI: InChI=1S/C13H11ClO3/c14-9-5-2-1-4-8(9)13(17)12-10(15)6-3-7-11(12)16/h1-2,4-5,12H,3,6-7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization