1-(5-Decylpyridin-3-yl)decan-1-one
PubChem CID: 163087562
Connections displayed (default: 10).
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| Topological Polar Surface Area | 30.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(5-decylpyridin-3-yl)decan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 9.7 |
| Molecular Formula | C25H43NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKISHTDTMHMYHC-UHFFFAOYSA-N |
| Fcsp3 | 0.76 |
| Logs | -2.829 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.851 |
| Compound Name | 1-(5-Decylpyridin-3-yl)decan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 373.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 373.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 373.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.2691194444444465 |
| Inchi | InChI=1S/C25H43NO/c1-3-5-7-9-11-13-14-16-18-23-20-24(22-26-21-23)25(27)19-17-15-12-10-8-6-4-2/h20-22H,3-19H2,1-2H3 |
| Smiles | CCCCCCCCCCC1=CC(=CN=C1)C(=O)CCCCCCCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients