Molecule ID: mol18907

SMILES: O=[N+]([O-])c1ncn(CCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1

InChI: InChI=1S/C17H21F3N6O2/c18-17(19,20)15-4-2-14(3-5-15)12-24-10-8-23(9-11-24)6-1-7-25-13-21-16(22-25)26(27)28/h2-5,13H,1,6-12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization