Molecule ID: mol19871

SMILES: COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1

InChI: InChI=1S/C25H33N3O5/c1-30-13-11-20-15-27-25(28-20)19-5-7-22(8-6-19)33-17-21(29)16-26-12-10-18-4-9-23(31-2)24(14-18)32-3/h4-9,14-15,21,26,29H,10-13,16-17H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.90 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization