N-(2-phenylethyl)deca-2,4,6-trienamide
PubChem CID: 163072593
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| Topological Polar Surface Area | 29.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-phenylethyl)deca-2,4,6-trienamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C18H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNTXFYMXENEREX-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.971 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.958 |
| Compound Name | N-(2-phenylethyl)deca-2,4,6-trienamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.178 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 269.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.3164056 |
| Inchi | InChI=1S/C18H23NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h4-14H,2-3,15-16H2,1H3,(H,19,20) |
| Smiles | CCCC=CC=CC=CC(=O)NCCC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients