Molecule ID: mol37323

SMILES: O[C@H]1CCc2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O

InChI: InChI=1S/C21H17NO2/c23-18-10-9-16-17(21(18)24)8-7-14-11-13-6-5-12-3-1-2-4-15(12)19(13)22-20(14)16/h1-8,11,18,21,23-24H,9-10H2/t18-,21-/m0/s1

Experimental Macro pKa Values

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