Molecule ID: mol17730

SMILES: CN1CCN(Cc2ccc(OC3CN(C(=O)c4nnc(-c5ccccc5)o4)C3)cc2F)CC1

InChI: InChI=1S/C24H26FN5O3/c1-28-9-11-29(12-10-28)14-18-7-8-19(13-21(18)25)32-20-15-30(16-20)24(31)23-27-26-22(33-23)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-16H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization