[(2E,4E)-hexa-2,4-dienyl]benzene
PubChem CID: 6429143
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 | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2E,4E)-hexa-2,4-dienyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C12H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSQZPUUCMYDLKO-WJPDYIDTSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.446 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.735 |
| Compound Name | [(2E,4E)-hexa-2,4-dienyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 158.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4312128 |
| Inchi | InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-8,10-11H,9H2,1H3/b3-2+,6-4+ |
| Smiles | C/C=C/C=C/CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients