Molecule ID: mol17633

SMILES: Oc1ccc[n+]2c1C1c3ccccc3C2CC1(c1ccoc1)c1ccoc1

InChI: InChI=1S/C23H17NO3/c25-20-6-3-9-24-19-12-23(15-7-10-26-13-15,16-8-11-27-14-16)21(22(20)24)18-5-2-1-4-17(18)19/h1-11,13-14,19,21H,12H2/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.88 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization