Molecule ID: mol2740

SMILES: COc1cc(C)cc(Cl)c1C1C(=O)CC(CC2CCOCC2)C1=O

InChI: InChI=1S/C19H23ClO4/c1-11-7-14(20)17(16(8-11)23-2)18-15(21)10-13(19(18)22)9-12-3-5-24-6-4-12/h7-8,12-13,18H,3-6,9-10H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization