21-(Furan-2-yl)henicosa-14,16-diyn-1-ol
PubChem CID: 11639293
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL491175 |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 21-(furan-2-yl)henicosa-14,16-diyn-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C25H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASJAOJGETFTZHI-UHFFFAOYSA-N |
| Fcsp3 | 0.68 |
| Logs | -6.86 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.021 |
| Compound Name | 21-(Furan-2-yl)henicosa-14,16-diyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 370.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.548414437037039 |
| Inchi | InChI=1S/C25H38O2/c26-23-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-21-25-22-20-24-27-25/h20,22,24,26H,1-5,7,9,11,13-19,21,23H2 |
| Smiles | C1=COC(=C1)CCCCC#CC#CCCCCCCCCCCCCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Evecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all