Molecule ID: mol1537

SMILES: CC(C)NC[C@H](O)c1cccc(C(F)(F)F)c1

InChI: InChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3/t11-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.30 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization