Molecule ID: mol16428

SMILES: C[C@H]1[C@H](N)CN1c1c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

InChI: InChI=1S/C17H18F2N4O3/c1-6-9(20)5-22(6)15-11(18)13(21)10-14(12(15)19)23(7-2-3-7)4-8(16(10)24)17(25)26/h4,6-7,9H,2-3,5,20-21H2,1H3,(H,25,26)/t6-,9+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization