Molecule ID: mol16953

SMILES: c1ccc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C27H27N3O2/c1-2-5-20(6-3-1)15-21-7-9-23-24(11-14-30-25(23)16-21)29-13-4-12-28-18-22-8-10-26-27(17-22)32-19-31-26/h1-3,5-11,14,16-17,28H,4,12-13,15,18-19H2,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization