[(E)-3-phenylprop-2-enyl] benzoate
Formula:C16H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-phenylprop-2-enyl] benzoate is a drug-like molecule.
| MolName | [(E)-3-phenylprop-2-enyl] benzoate |
| MolecularFormula | C16H14O2 |
| Smiles | O=C(c1ccccc1)OC/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2 |
| InChIK | UARVBDPGNUHYQT-UHFFFAOYSA-N |
| TotalMolweight | 238.285 |
| Molweight | 238.285 |
| MonoisotopicMass | 238.09938 |
| CLogP | 3.7519 |
| CLogS | -3.597 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.03 |
| Relative PSA | 0.11461 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.1896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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