Molecule ID: mol2700

SMILES: CC1(C)CC(C)(C)C(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O

InChI: InChI=1S/C18H18F3NO5/c1-16(2)8-17(3,4)15(25)12(14(16)24)13(23)10-6-5-9(18(19,20)21)7-11(10)22(26)27/h5-7,12H,8H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.70 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization