Molecule ID: mol37837

SMILES: CC1=C(C(=O)O)N2C(=S)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1

InChI: InChI=1S/C16H16N2O3S2/c1-9-8-23-15-12(14(22)18(15)13(9)16(20)21)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,20,21)/t12-,15-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.86 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization