CNP0268603.1
CNP0268603.1 · C12H14O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0268603.1 |
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| InChIKey | MDFATIDEXXOYPV-MRVPVSSYSA-N |
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| InChI | InChI=1S/C12H14O/c1-8-3-5-12-9(2)7-10(13)4-6-11(8)12/h4,6-8H,3,5H2,1-2H3/t8-/m1/s1 |
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| SMILES | CC1=CC(=O)C=CC2=C1CC[C@H]2C |
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Properties
| Molecular Formula | C12H14O |
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| Molecular Weight | 174.24 |
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| Exact Mass | 174.10447 |
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| Log P (ALogP) | 2.40 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.59 |
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| NP-likeness | 1.08 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
