6-Hydroxybenzofuran-5-carbimidic acid
CNP0078521.0 · C9H7NO3 · View on COCONUT ↗
Identifiers
| Name | 6-Hydroxybenzofuran-5-carbimidic acid |
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| IUPAC Name | 6-hydroxybenzofuran-5-carboxamide |
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| COCONUT ID | CNP0078521.0 |
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| CAS | 64758-63-0 |
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| InChIKey | RDEKEWVOOJBTET-UHFFFAOYSA-N |
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| InChI | InChI=1S/C9H7NO3/c10-9(12)6-3-5-1-2-13-8(5)4-7(6)11/h1-4,11H,(H2,10,12) |
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| SMILES | NC(=O)C1=CC2=C(C=C1O)OC=C2 |
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Properties
| Molecular Formula | C9H7NO3 |
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| Molecular Weight | 177.16 |
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| Exact Mass | 177.04259 |
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| Log P (ALogP) | 1.24 |
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| TPSA | 76.46 |
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| H-Bond Donors / Acceptors | 2 / 3 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.69 |
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| NP-likeness | 0.54 |
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Classification
| NP Pathway | |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Benzene and substituted derivatives |
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| Chemical Subclass | Benzoic acids and derivatives |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
