5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
Chemical Structure Depiction of
5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
Compound characteristics
| Compound ID: | 8015-9566 |
| Compound Name: | 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid |
| Molecular Weight: | 306.11 |
| Molecular Formula: | C13 H8 Br N O3 |
| Smiles: | c1ccn(c1)c1c2cc(ccc2oc1C(O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5 |
| logD: | -1.0487 |
| logSw: | -3.6136 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.556 |
| InChI Key: | GPSKNTJPTFZHCM-UHFFFAOYSA-N |