N-[(E)-3-oxo-5-phenylpent-4-enoyl]benzamide
Formula:C18H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-5-phenylpent-4-enoyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-5-phenylpent-4-enoyl]benzamide |
| MolecularFormula | C18H15NO3 |
| Smiles | O=C(CC(NC(c1ccccc1)=O)=O)/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H15NO3/c20-16(12-11-14-7-3-1-4-8-14)13-17(21)19-18(22)15-9-5-2-6-10-15/h1-12H,13H2,(H,19,21,22) |
| InChIK | APRIBGRUJVSBJR-UHFFFAOYSA-N |
| TotalMolweight | 293.321 |
| Molweight | 293.321 |
| MonoisotopicMass | 293.105194 |
| CLogP | 2.7839 |
| CLogS | -3.635 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.99 |
| Relative PSA | 0.21253 |
| PolarSurfaceArea | 63.24 |
| Druglikeness | -1.9992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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