Molecule ID: mol38235

SMILES: OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O

InChI: InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.10 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization