Molecule ID: mol589

SMILES: CC1=NN(C(=O)CCS)[C@H](C(=O)O)S1

InChI: InChI=1S/C7H10N2O3S2/c1-4-8-9(5(10)2-3-13)6(14-4)7(11)12/h6,13H,2-3H2,1H3,(H,11,12)/t6-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization