Molecule ID: mol18158

SMILES: Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CCC(c1ccccc1)O3

InChI: InChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(23(27)25-17-9-6-10-17)18-11-12-20(16-7-4-3-5-8-16)28-21(18)22(26)24-14/h3-5,7-8,13,17,20H,6,9-12H2,1-2H3,(H,25,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization