Methyl 4,5-Dibromo-1H-Pyrrole-2-Carboxylate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL391386 | |
| PubChem: | 324097 | |
| IUPAC: | methyl 4,5-dibromo-1H-pyrrole-2-carboxylate | |
| Standard InChI: | InChI=1S/C6H5Br2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3 | |
| Standard InChI Key: | ISQWCRSAYRXYRS-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1[nH]c(c(c1)Br)Br | |
Molecular propeties
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| AlogP: | 2.33 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 280.87 | |
| Topological polar surface area: | 42.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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