Molecule ID: mol16933

SMILES: Cc1cc(C)cc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1

InChI: InChI=1S/C29H31N3O2/c1-20-12-21(2)14-24(13-20)15-22-4-6-25-26(8-11-32-27(25)16-22)31-10-3-9-30-18-23-5-7-28-29(17-23)34-19-33-28/h4-8,11-14,16-17,30H,3,9-10,15,18-19H2,1-2H3,(H,31,32)

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