Molecule ID: mol28125

SMILES: CN(C)C(=Nc1cccc(Br)c1)N(C)C

InChI: InChI=1S/C11H16BrN3/c1-14(2)11(15(3)4)13-10-7-5-6-9(12)8-10/h5-8H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.54 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization