1-Methyl-2-[(Z)-7-tridecenyl]-4-(1H)-quinolone
PubChem CID: 5319779
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| Compound Synonyms | 1-Methyl-2-[(Z)-7-tridecenyl]-4-(1H)-quinolone, SCHEMBL8135746, CHEMBL1643851 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-[(Z)-tridec-7-enyl]quinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C23H33NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXRKDSSARDBYHW-FPLPWBNLSA-N |
| Fcsp3 | 0.5217391304347826 |
| Logs | -3.065 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.367 |
| Compound Name | 1-Methyl-2-[(Z)-7-tridecenyl]-4-(1H)-quinolone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 339.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.8637426 |
| Inchi | InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h7-8,14-15,17-19H,3-6,9-13,16H2,1-2H3/b8-7- |
| Smiles | CCCCC/C=C\CCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients