Molecule ID: mol17540

SMILES: COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1

InChI: InChI=1S/C25H30FN5O2/c1-33-24-17-21(26)16-23(18-24)30-14-12-29(13-15-30)10-3-2-8-28-25(32)20-4-6-22(7-5-20)31-11-9-27-19-31/h4-7,9,11,16-19H,2-3,8,10,12-15H2,1H3,(H,28,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization