Molecule ID: mol18019

SMILES: N#CCc1c(C(F)(F)F)nc2c(OCc3ccccc3)cccn12

InChI: InChI=1S/C17H12F3N3O/c18-17(19,20)15-13(8-9-21)23-10-4-7-14(16(23)22-15)24-11-12-5-2-1-3-6-12/h1-7,10H,8,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization