Molecule ID: mol31792

SMILES: CC1(C)SC2[C@H](NC(=O)C3(N)CCCC3)C(=O)N2[C@H]1C(=O)O

InChI: InChI=1S/C14H21N3O4S/c1-13(2)8(11(19)20)17-9(18)7(10(17)22-13)16-12(21)14(15)5-3-4-6-14/h7-8,10H,3-6,15H2,1-2H3,(H,16,21)(H,19,20)/t7-,8+,10?/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization