Molecule ID: mol36367

SMILES: O=C1OC(c2c[nH]c3ccccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21

InChI: InChI=1S/C25H15ClN2O4/c26-18-10-5-8-15-20(22(23(29)30)28-21(15)18)25(16-9-3-1-7-14(16)24(31)32-25)17-12-27-19-11-4-2-6-13(17)19/h1-12,27-28H,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 QSARToolbox -2 » -3
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Charge States and Microspecies Visualization