Molecule ID: mol18661

SMILES: CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CCC1(CCc3ccccc31)O2

InChI: InChI=1S/C23H25N3O3/c1-14-15(2)26-13-18(22(27)25(3)28-4)17-10-12-23(29-20(17)21(26)24-14)11-9-16-7-5-6-8-19(16)23/h5-8,13H,9-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization