4-Hydroxy-1-benzofuran-5-carboxamide
PubChem CID: 122195904
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| Compound Synonyms | CHEMBL3634195 |
|---|---|
| Topological Polar Surface Area | 76.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-1-benzofuran-5-carboxamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C9H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMGYARQQUOIZHK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 4-Hydroxy-1-benzofuran-5-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.043 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 177.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2666934923076916 |
| Inchi | InChI=1S/C9H7NO3/c10-9(12)6-1-2-7-5(8(6)11)3-4-13-7/h1-4,11H,(H2,10,12) |
| Smiles | C1=CC2=C(C=CO2)C(=C1C(=O)N)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients