Molecule ID: mol16126

SMILES: O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1

InChI: InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization