Molecule ID: mol18662

SMILES: Cc1cccc2c1CCC21CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1

InChI: InChI=1S/C24H27N3O2/c1-14-7-6-8-20-17(14)9-11-24(20)12-10-18-19(23(28)26(4)5)13-27-16(3)15(2)25-22(27)21(18)29-24/h6-8,13H,9-12H2,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization