(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide
PubChem CID: 11222182
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C24H43NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQYWYNYZGPSILS-KVFRDMGPSA-N |
| Fcsp3 | 0.7083333333333334 |
| Logs | -3.516 |
| Rotatable Bond Count | 17.0 |
| Logd | 5.189 |
| Compound Name | (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 361.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.334 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 361.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -6.548106800000001 |
| Inchi | InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)/b9-8-,17-16+,21-18+ |
| Smiles | CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients