Molecule ID: mol18922

SMILES: Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c21

InChI: InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization