Molecule ID: mol20732

SMILES: CC(C)N(CCS/C(=N\O)C(=O)c1ccc(Cl)cc1)C(C)C

InChI: InChI=1S/C16H23ClN2O2S/c1-11(2)19(12(3)4)9-10-22-16(18-21)15(20)13-5-7-14(17)8-6-13/h5-8,11-12,21H,9-10H2,1-4H3/b18-16-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization