5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
Compound ID: | 2817-4345 |
Compound Name: | 5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
Molecular Weight: | 249.69 |
Molecular Formula: | C13 H12 Cl N O2 |
Smiles: | Cc1ccc(C)n1c1ccc(cc1C(O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.2122 |
logD: | -0.1848 |
logSw: | -3.2929 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.2345 |
InChI Key: | ZUNYXBKRXNVRLI-UHFFFAOYSA-N |