Molecule ID: mol32526

SMILES: CC1(C)SC2C(C(=O)O)N=C(CCCC(N)C(=O)O)N2C1C(=O)O

InChI: InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-7(5-3-4-6(15)11(18)19)16-8(12(20)21)10(17)24-14/h6,8-10H,3-5,15H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.10 OCHEM 0 » -1
10.30 OCHEM -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization