Molecule ID: mol38231

SMILES: O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(O)CO

InChI: InChI=1S/C18H16ClFN2O3/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)21-8-17(25)22(16)9-12(24)10-23/h1-7,12,23-24H,8-10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.26 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization