Molecule ID: mol37318

SMILES: O[C@@H]1[C@H](O)[C@@H](O)c2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O

InChI: InChI=1S/C21H17NO4/c23-18-12-6-8-16-14(17(12)19(24)21(26)20(18)25)9-13-11-4-2-1-3-10(11)5-7-15(13)22-16/h1-9,18-21,23-26H/t18-,19+,20+,21-/m1/s1

Experimental Macro pKa Values

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