(2E,4E,12E)-N-(2-methylpropyl)tetradeca-2,4,12-trien-8,10-diynamide
PubChem CID: 14427417
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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 | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,12E)-N-(2-methylpropyl)tetradeca-2,4,12-trien-8,10-diynamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C18H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | GUJXDSIRNUISDE-CTAVSSKASA-N |
| Fcsp3 | 0.3888888888888889 |
| Rotatable Bond Count | 7.0 |
| Compound Name | (2E,4E,12E)-N-(2-methylpropyl)tetradeca-2,4,12-trien-8,10-diynamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 269.178 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | -4.087805599999999 |
| Inchi | InChI=1S/C18H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,13-12+,15-14+ |
| Smiles | C/C=C/C#CC#CCC/C=C/C=C/C(=O)NCC(C)C |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aria Rostellata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panzerina Lanata (Plant) Rel Props:Source_db:cmaup_ingredients