Molecule ID: mol2279

SMILES: Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O

InChI: InChI=1S/C26H24Cl2N2O4/c1-16-10-17(6-9-24(16)34-15-25(31)32)13-30-14-19-5-3-2-4-18(19)11-23(30)26(33)29-22-8-7-20(27)12-21(22)28/h2-10,12,23H,11,13-15H2,1H3,(H,29,33)(H,31,32)/t23-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization