Molecule ID: mol18013

SMILES: OCc1c(C(F)(F)F)nc2c(OCc3ccccc3)cccn12

InChI: InChI=1S/C16H13F3N2O2/c17-16(18,19)14-12(9-22)21-8-4-7-13(15(21)20-14)23-10-11-5-2-1-3-6-11/h1-8,22H,9-10H2

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