Molecule ID: mol13149

SMILES: O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21

InChI: InChI=1S/C7H9ClO2/c8-7(6(9)10)4-2-1-3-5(4)7/h4-5H,1-3H2,(H,9,10)/t4-,5+,7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.82 QSARToolbox 0 » -1
2.82 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization