Molecule ID: mol37831

SMILES: CC1(C)S[C@@H]2N(C(=O)Cc3ccccc3)CC(=O)N2[C@H]1C(=O)O

InChI: InChI=1S/C16H18N2O4S/c1-16(2)13(14(21)22)18-12(20)9-17(15(18)23-16)11(19)8-10-6-4-3-5-7-10/h3-7,13,15H,8-9H2,1-2H3,(H,21,22)/t13-,15+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization