2-[(E)-2-phenylethenyl]-1,3-dioxane
Formula:C12H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1,3-dioxane is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1,3-dioxane |
| MolecularFormula | C12H14O2 |
| Smiles | C1COC(/C=C/c2ccccc2)OC1 |
| InChI | InChI=1S/C12H14O2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2 |
| InChIK | RYBKJHOKANEUER-UHFFFAOYSA-N |
| TotalMolweight | 190.241 |
| Molweight | 190.241 |
| MonoisotopicMass | 190.09938 |
| CLogP | 2.3233 |
| CLogS | -2.503 |
| H Acceptors | 2 |
| TotalSurfaceArea | 160.04 |
| Relative PSA | 0.12497 |
| PolarSurfaceArea | 18.46 |
| Druglikeness | -1.3653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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