Molecule ID: mol18083

SMILES: O=C(O)CCC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1

InChI: InChI=1S/C22H21FN2O3/c23-15-8-9-18-14(10-15)12-20(24-18)22(28)25-19-11-13-4-1-2-5-16(13)17(19)6-3-7-21(26)27/h1-2,4-5,8-10,12,17,19,24H,3,6-7,11H2,(H,25,28)(H,26,27)/t17-,19-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization