Molecule ID: mol37832

SMILES: CC1CCC(N)(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C1

InChI: InChI=1S/C15H23N3O4S/c1-7-4-5-15(16,6-7)13(22)17-8-10(19)18-9(12(20)21)14(2,3)23-11(8)18/h7-9,11H,4-6,16H2,1-3H3,(H,17,22)(H,20,21)/t7?,8-,9+,11-,15?/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.65 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization