Molecule ID: mol17662

SMILES: COc1ccc(Cn2cc(-c3nnn[nH]3)c(=O)c3c(F)ccc(F)c32)cc1

InChI: InChI=1S/C18H13F2N5O2/c1-27-11-4-2-10(3-5-11)8-25-9-12(18-21-23-24-22-18)17(26)15-13(19)6-7-14(20)16(15)25/h2-7,9H,8H2,1H3,(H,21,22,23,24)

Experimental Macro pKa Values

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