[(E)-3-phenoxyprop-1-enyl]benzene
Formula:C15H14O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-phenoxyprop-1-enyl]benzene is a drug-like molecule.
| MolName | [(E)-3-phenoxyprop-1-enyl]benzene |
| MolecularFormula | C15H14O |
| Smiles | C(/C=C/c1ccccc1)Oc1ccccc1 |
| InChI | InChI=1S/C15H14O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-12H,13H2 |
| InChIK | LLOUPYJHSJUFQI-UHFFFAOYSA-N |
| TotalMolweight | 210.275 |
| Molweight | 210.275 |
| MonoisotopicMass | 210.104465 |
| CLogP | 3.7689 |
| CLogS | -3.474 |
| H Acceptors | 1 |
| TotalSurfaceArea | 183.28 |
| Relative PSA | 0.054561 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -1.9351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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