3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Chemical Structure Depiction of
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 2817-4338 |
| Compound Name: | 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid |
| Molecular Weight: | 229.28 |
| Molecular Formula: | C14 H15 N O2 |
| Smiles: | Cc1ccc(cc1n1c(C)ccc1C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4103 |
| logD: | -0.8028 |
| logSw: | -3.4574 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2345 |
| InChI Key: | ALKSDHRUSDCLSX-UHFFFAOYSA-N |