CNP0609158.0
CNP0609158.0 · C14H18O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0609158.0 |
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| InChIKey | SCUVFEHQOAHGDB-UHFFFAOYSA-N |
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| InChI | InChI=1S/C14H18O2/c1-13(6-5-10-15)9-11-16-12-14-7-3-2-4-8-14/h2-4,7-10H,5-6,11-12H2,1H3 |
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| SMILES | CC(=CCOCC1=CC=CC=C1)CCC=O |
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Properties
| Molecular Formula | C14H18O2 |
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| Molecular Weight | 218.30 |
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| Exact Mass | 218.13068 |
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| Log P (ALogP) | 3.13 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 7 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.40 |
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| NP-likeness | 1.33 |
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Classification
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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.
