Molecule ID: mol2635

SMILES: Cc1[nH]c(C(=O)NC2CCN(c3nc(C#N)c(C(=O)O)s3)CC2)c(Cl)c1Cl

InChI: InChI=1S/C16H15Cl2N5O3S/c1-7-10(17)11(18)12(20-7)14(24)21-8-2-4-23(5-3-8)16-22-9(6-19)13(27-16)15(25)26/h8,20H,2-5H2,1H3,(H,21,24)(H,25,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.00 Manchester 0 » -1
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Charge States and Microspecies Visualization