4,5-Dibromo-2-Pyrrolic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL397590 | |
| PubChem: | 161830 | |
| IUPAC: | 4,5-dibromo-1H-pyrrole-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10) | |
| Standard InChI Key: | ZUROCNHARMFRKA-UHFFFAOYSA-N | |
| SMILES: | Brc1[nH]c(cc1Br)C(=O)O | |
Molecular propeties
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| AlogP: | 2.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 266.85 | |
| Topological polar surface area: | 53.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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