Molecule ID: mol37344

SMILES: O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1O

InChI: InChI=1S/C21H15NO3/c23-18-14-8-7-12-9-11-6-5-10-3-1-2-4-13(10)16(11)22-17(12)15(14)20-21(25-20)19(18)24/h1-9,18-21,23-24H/t18-,19+,20+,21-/m1/s1

Experimental Macro pKa Values

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