Molecule ID: mol2633

SMILES: COC(=O)c1cnc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)s1

InChI: InChI=1S/C17H20Cl2N4O4S/c1-8-12(18)13(19)14(21-8)15(24)22-9-4-5-23(7-10(9)26-2)17-20-6-11(28-17)16(25)27-3/h6,9-10,21H,4-5,7H2,1-3H3,(H,22,24)/t9-,10+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.00 Manchester 2 » 1
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Charge States and Microspecies Visualization