5,7-Dihydroxy-2-nonadecylchromone
PubChem CID: 86020663
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| Compound Synonyms | 5,7-dihydroxy-2-nonadecylchromone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-nonadecylchromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.3 |
| Molecular Formula | C28H44O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADSQBWKZBXPZNO-UHFFFAOYSA-N |
| Fcsp3 | 0.6785714285714286 |
| Logs | -3.543 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.772 |
| Compound Name | 5,7-Dihydroxy-2-nonadecylchromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 444.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.324 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 444.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.211017199999999 |
| Inchi | InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-26(31)28-25(30)20-23(29)21-27(28)32-24/h20-22,29-30H,2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Passiflora Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients