FLUORENE
CNP0215002.0 · C13H10 · View on COCONUT ↗
Identifiers
| Name | FLUORENE |
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| IUPAC Name | 9~{H}-fluorene |
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| COCONUT ID | CNP0215002.0 |
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| CAS | 86-73-7, 95270-88-5 |
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| InChIKey | NIHNNTQXNPWCJQ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 |
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| SMILES | C1=CC=C2C(=C1)CC1=CC=CC=C12 |
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Properties
| Molecular Formula | C13H10 |
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| Molecular Weight | 166.22 |
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| Exact Mass | 166.07825 |
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| Log P (ALogP) | 3.26 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.48 |
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| NP-likeness | -0.11 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | Polycyclic aromatic polyketides |
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| NP Class | Anthraquinones and anthrones |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Fluorenes |
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| Chemical Subclass | Fluorenes |
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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.
