Molecule ID: mol16172

SMILES: CN(C)c1ccc2c(c1)Oc1c(ccc3cc(O)ccc13)C21OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

InChI: InChI=1S/C26H15Cl4NO4/c1-31(2)12-4-8-15-17(10-12)34-24-14-6-5-13(32)9-11(14)3-7-16(24)26(15)19-18(25(33)35-26)20(27)22(29)23(30)21(19)28/h3-10,32H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization