Molecule ID: mol19119

SMILES: O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21

InChI: InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization