Molecule ID: mol18161

SMILES: Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CCC(c1ccccc1)O3

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization