(+)-Longicamphenylone
PubChem CID: 289152
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| Compound Synonyms | NSC150809, (+)-Longicamphenylone, SXPTWBDKLVMRLI-UHFFFAOYSA-N, NSC-150809 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C14H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXPTWBDKLVMRLI-UHFFFAOYSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -5.076 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.122 |
| Compound Name | (+)-Longicamphenylone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4502397999999994 |
| Inchi | InChI=1S/C14H22O/c1-13(2)7-4-8-14(3)10-6-5-9(11(10)13)12(14)15/h9-11H,4-8H2,1-3H3 |
| Smiles | CC1(CCCC2(C3C1C(C2=O)CC3)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients