Pentadeca-1,5,7,13-tetraen-9,11-diyne
PubChem CID: 162889692
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadeca-1,5,7,13-tetraen-9,11-diyne |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWAOGZPLZOJEGU-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.153 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.275 |
| Compound Name | Pentadeca-1,5,7,13-tetraen-9,11-diyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 196.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.779216599999999 |
| Inchi | InChI=1S/C15H16/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-4,6,9,11,13,15H,1,5,7H2,2H3 |
| Smiles | CC=CC#CC#CC=CC=CCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients