Molecule ID: mol16695

SMILES: CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F

InChI: InChI=1S/C21H24BF2N3/c1-13-11-15(3)26-20(13)19(17-7-9-18(10-8-17)25(5)6)21-14(2)12-16(4)27(21)22(26,23)24/h7-12H,1-6H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization