[(E)-3-oxo-5-phenylpent-1-enyl] benzoate
Formula:C18H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-oxo-5-phenylpent-1-enyl] benzoate is a drug-like molecule.
| MolName | [(E)-3-oxo-5-phenylpent-1-enyl] benzoate |
| MolecularFormula | C18H16O3 |
| Smiles | O=C(CCc1ccccc1)/C=C/OC(c1ccccc1)=O |
| InChI | InChI=1S/C18H16O3/c19-17(12-11-15-7-3-1-4-8-15)13-14-21-18(20)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2 |
| InChIK | FMFDSVSCNIBUMT-UHFFFAOYSA-N |
| TotalMolweight | 280.322 |
| Molweight | 280.322 |
| MonoisotopicMass | 280.109945 |
| CLogP | 3.4846 |
| CLogS | -3.878 |
| H Acceptors | 3 |
| TotalSurfaceArea | 232.54 |
| Relative PSA | 0.15516 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.1928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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