(6E)-3-chloro-6-octa-2,4,6-triynylidene-2,3-dihydropyran
PubChem CID: 5315840
Connections displayed (default: 10).
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-3-chloro-6-octa-2,4,6-triynylidene-2,3-dihydropyran |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C13H9ClO |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSDSGWWDSHLQBZ-MDWZMJQESA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -4.483 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.974 |
| Compound Name | (6E)-3-chloro-6-octa-2,4,6-triynylidene-2,3-dihydropyran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.034 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.66 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2245354 |
| Inchi | InChI=1S/C13H9ClO/c1-2-3-4-5-6-7-8-13-10-9-12(14)11-15-13/h8-10,12H,11H2,1H3/b13-8+ |
| Smiles | CC#CC#CC#C/C=C/1\C=CC(CO1)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anaphalis Margaritacea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chlorophytum Malayense (Plant) Rel Props:Source_db:cmaup_ingredients