Molecule ID: mol20602

SMILES: COC(=O)c1cc(OC(=O)c2ccc(OC)c(O)c2)c(OC)cc1CCNc1ccc(F)c(Cl)c1

InChI: InChI=1S/C25H23ClFNO7/c1-32-21-7-4-15(10-20(21)29)24(30)35-23-13-17(25(31)34-3)14(11-22(23)33-2)8-9-28-16-5-6-19(27)18(26)12-16/h4-7,10-13,28-29H,8-9H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.06 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization