Molecule ID: mol2721

SMILES: CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@H]2C[C@@H](C1=O)C2(C)C

InChI: InChI=1S/C23H23ClO2/c1-4-13-5-6-15(14-7-9-16(24)10-8-14)11-17(13)20-21(25)18-12-19(22(20)26)23(18,2)3/h5-11,18-20H,4,12H2,1-3H3/t18-,19+,20?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization