Molecule ID: mol21291

SMILES: COc1cccc2c1N=C(NCC(F)F)NC2C

InChI: InChI=1S/C12H15F2N3O/c1-7-8-4-3-5-9(18-2)11(8)17-12(16-7)15-6-10(13)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16,17)

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