Molecule ID: mol17058

SMILES: O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl

InChI: InChI=1S/C11H11Cl3N2O5/c12-11(13,14)10(19)15-8(5-17)9(18)6-1-3-7(4-2-6)16(20)21/h1-4,8-9,17-18H,5H2,(H,15,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization