Tetradeca-2,8,10-trien-4,6-diyne
PubChem CID: 163068718
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradeca-2,8,10-trien-4,6-diyne |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C14H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPUYZYRCOVZLPY-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -5.081 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.55 |
| Compound Name | Tetradeca-2,8,10-trien-4,6-diyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.758148399999999 |
| Inchi | InChI=1S/C14H16/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5,8,10,12,14H,4,6H2,1-2H3 |
| Smiles | CCCC=CC=CC#CC#CC=CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Iris Potaninii (Plant) Rel Props:Source_db:cmaup_ingredients