Molecule ID: mol2720

SMILES: COc1cc(C)cc(Cl)c1C1C(=O)C2CCC(C2)C1=O

InChI: InChI=1S/C16H17ClO3/c1-8-5-11(17)13(12(6-8)20-2)14-15(18)9-3-4-10(7-9)16(14)19/h5-6,9-10,14H,3-4,7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization