[(E)-hex-2-en-4-ynyl]benzene
PubChem CID: 5316880
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-hex-2-en-4-ynyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C12H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPJPNLTYUMFGGB-GQCTYLIASA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.859 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.532 |
| Compound Name | [(E)-hex-2-en-4-ynyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3272136 |
| Inchi | InChI=1S/C12H12/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4-8,10-11H,9H2,1H3/b6-4+ |
| Smiles | CC#C/C=C/CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients