5-Hydroxy-2-nonadec-14-enylchromen-4-one
PubChem CID: 6325795
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-nonadec-14-enylchromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.6 |
| Molecular Formula | C28H42O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HXSMRENEMIEUND-UHFFFAOYSA-N |
| Fcsp3 | 0.6071428571428571 |
| Logs | -6.567 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.913 |
| Compound Name | 5-Hydroxy-2-nonadec-14-enylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.313 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 426.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.807383877419355 |
| Inchi | InChI=1S/C28H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-23-26(30)28-25(29)21-19-22-27(28)31-24/h5-6,19,21-23,29H,2-4,7-18,20H2,1H3 |
| Smiles | CCCCC=CCCCCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Vulcanica (Plant) Rel Props:Source_db:cmaup_ingredients