Molecule ID: mol1964

SMILES: Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O

InChI: InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-8-7-18(26)11-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)/t24-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.10 Hunt 1 » 0
5.60 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization