Molecule ID: mol21366

SMILES: O=C(O)c1cn2c(c1O)C(=O)N(Cc1cccc(Cl)c1)CC2

InChI: InChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)7-18-5-4-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-3,6,8,19H,4-5,7H2,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization