Molecule ID: mol21290

SMILES: CC(C)Oc1cccc2c1N=C(NCC(F)F)NC2C

InChI: InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 OCHEM 0 » -1
10.20 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization