(E)-N-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-3-phenylprop-2-enamide
Formula:C23H15NO5
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(E)-N-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C23H15NO5 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc1)ccc1Oc(cc1)cc(C(O2)=O)c1C2=O |
| InChI | InChI=1S/C23H15NO5/c25-21(13-6-15-4-2-1-3-5-15)24-16-7-9-17(10-8-16)28-18-11-12-19-20(14-18)23(27)29-22(19)26/h1-14H,(H,24,25) |
| InChIK | FTRPUNRTNZWHDV-UHFFFAOYSA-N |
| TotalMolweight | 385.374 |
| Molweight | 385.374 |
| MonoisotopicMass | 385.095024 |
| CLogP | 3.7565 |
| CLogS | -6.302 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.49 |
| Relative PSA | 0.24297 |
| PolarSurfaceArea | 81.7 |
| Druglikeness | -14.236 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | anhydride |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-3-phenylprop-2-enamide | 2 - (E)-N-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-3-phenylprop-2-enamide
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