Molecule ID: mol21121

SMILES: Cc1[nH]c(C(=O)NC2CCN(c3ncc(C(=O)O)s3)CC2)c(Cl)c1Cl

InChI: InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.40 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization