4,5-Dibromo-1h-pyrrole-2-carboxamide
PubChem CID: 14056555
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| Compound Synonyms | 4,5-dibromo-1h-pyrrole-2-carboxamide, 34649-20-2, 4,5-dibromopyrrole-2-carbonamide, HQK4JP7EWK, 1H-Pyrrole-2-carboxamide, 4,5-dibromo-, 4,5-dibromopyrrole-2-carboxamide, UNII-HQK4JP7EWK, CHEMBL356164, 4,5-Bis(bromanyl)-1H-pyrrole-2-carboxamide, 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide, MLS001250248, 4,5-dibromopyrrole-2-carbamide, DTXSID30555154, BDBM50108773, PD181945, SMR001216076 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q02750, P28482, P35520 |
| Iupac Name | 4,5-dibromo-1H-pyrrole-2-carboxamide |
| Prediction Hob | 1.0 |
| Target Id | NPT491, NPT4717 |
| Xlogp | 1.6 |
| Molecular Formula | C5H4Br2N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VTWHNVAKXBNGFV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.654 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.815 |
| Compound Name | 4,5-Dibromo-1h-pyrrole-2-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 267.867 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.869 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 267.91 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8382296 |
| Inchi | InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10) |
| Smiles | C1=C(NC(=C1Br)Br)C(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Echinocystis Fabacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Monochaetum Vulcanicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Rhododendron Ovatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Vernonia Arctioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all