1-Methyl-2-nonacosylquinolin-4-one
PubChem CID: 5319734
Connections displayed (default: 10).
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| Compound Synonyms | 1-methyl-2-nonacosyl-4-quinolone |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 639.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-nonacosylquinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 16.9 |
| Molecular Formula | C39H67NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFTNLBNOOKRUQH-UHFFFAOYSA-N |
| Fcsp3 | 0.7692307692307693 |
| Logs | -7.781 |
| Rotatable Bond Count | 28.0 |
| Logd | 5.267 |
| Compound Name | 1-Methyl-2-nonacosylquinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 565.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 565.522 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 566.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -13.078208004878048 |
| Inchi | InChI=1S/C39H67NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36-35-39(41)37-33-30-31-34-38(37)40(36)2/h30-31,33-35H,3-29,32H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients