1-Methyl-2-pentadec-6-enyl-4(1h)-quinolone
PubChem CID: 6325679
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| Compound Synonyms | 1-methyl-2-pentadec-6-enyl-4( 1h)-quinolone |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-pentadec-6-enylquinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C25H37NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQBLVLZFKVROKG-UHFFFAOYSA-N |
| Fcsp3 | 0.56 |
| Logs | -4.347 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.174 |
| Compound Name | 1-Methyl-2-pentadec-6-enyl-4(1h)-quinolone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 367.288 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.288 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 367.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.564151474074073 |
| Inchi | InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h10-11,16-17,19-21H,3-9,12-15,18H2,1-2H3 |
| Smiles | CCCCCCCCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients