(E)-9-(furan-2-yl)non-8-en-4,6-diyn-1-ol
PubChem CID: 5321055
Connections displayed (default: 10).
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| Topological Polar Surface Area | 33.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-9-(furan-2-yl)non-8-en-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C13H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIDLUUBFEBRYSA-RMKNXTFCSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.362 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.907 |
| Compound Name | (E)-9-(furan-2-yl)non-8-en-4,6-diyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6358360666666667 |
| Inchi | InChI=1S/C13H12O2/c14-11-7-5-3-1-2-4-6-9-13-10-8-12-15-13/h6,8-10,12,14H,5,7,11H2/b9-6+ |
| Smiles | C1=COC(=C1)/C=C/C#CC#CCCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients