Molecule ID: mol2751

SMILES: CCSC(C)CC1CC(=O)C(/C(CC)=N/OC/C=C/Cl)C(=O)C1

InChI: InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,17H,4-5,8-11H2,1-3H3/b7-6+,19-14+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.47 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization