Molecule ID: mol17355

SMILES: OB(O)c1cc2cc(CNc3ccc(N4CCOCC4)cc3)ccc2s1

InChI: InChI=1S/C19H21BN2O3S/c23-20(24)19-12-15-11-14(1-6-18(15)26-19)13-21-16-2-4-17(5-3-16)22-7-9-25-10-8-22/h1-6,11-12,21,23-24H,7-10,13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization