N-(3-methylbutyl)deca-2,4,6-trienamide
PubChem CID: 163017819
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3-methylbutyl)deca-2,4,6-trienamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | SCPZCRFWGBTKEW-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.582 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.218 |
| Compound Name | N-(3-methylbutyl)deca-2,4,6-trienamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 235.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 235.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.7134001999999993 |
| Inchi | InChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,16,17) |
| Smiles | CCCC=CC=CC=CC(=O)NCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients