Molecule ID: mol20486

SMILES: CCN(CC)CCS/C(=N/O)C(=O)c1ccc(Br)cc1

InChI: InChI=1S/C14H19BrN2O2S/c1-3-17(4-2)9-10-20-14(16-19)13(18)11-5-7-12(15)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3/b16-14+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization