Molecule ID: mol16432

SMILES: NC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

InChI: InChI=1S/C16H16FN3O3/c17-12-3-10-13(4-14(12)19-5-8(18)6-19)20(9-1-2-9)7-11(15(10)21)16(22)23/h3-4,7-9H,1-2,5-6,18H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization