Trideca-1,3,5-trien-7,9,11-triyne
PubChem CID: 528756
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trideca-1,3,5-trien-7,9,11-triyne |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C13H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AJWRNFIZKHPOHC-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.663 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.312 |
| Compound Name | Trideca-1,3,5-trien-7,9,11-triyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.2018826 |
| Inchi | InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3 |
| Smiles | CC#CC#CC#CC=CC=CC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracocephalum Rupestre (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trachycarpus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients