Molecule ID: mol20133

SMILES: CC(C)c1cc(C(=O)N2Cc3ccc(N4CCNCC4)cc3C2)c(O)cc1O

InChI: InChI=1S/C22H27N3O3/c1-14(2)18-10-19(21(27)11-20(18)26)22(28)25-12-15-3-4-17(9-16(15)13-25)24-7-5-23-6-8-24/h3-4,9-11,14,23,26-27H,5-8,12-13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization