(E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(furan-2-yl)prop-2-enamide
Formula:C22H15NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C22H15NO4 |
| Smiles | O=C(/C=C/c1ccco1)Nc1c(C(c2ccccc2)=O)oc2c1cccc2 |
| InChI | InChI=1S/C22H15NO4/c24-19(13-12-16-9-6-14-26-16)23-20-17-10-4-5-11-18(17)27-22(20)21(25)15-7-2-1-3-8-15/h1-14H,(H,23,24) |
| InChIK | ZHNJDMHUAWWHTG-UHFFFAOYSA-N |
| TotalMolweight | 357.364 |
| Molweight | 357.364 |
| MonoisotopicMass | 357.100109 |
| CLogP | 3.9606 |
| CLogS | -6.463 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.22 |
| Relative PSA | 0.23467 |
| PolarSurfaceArea | 72.45 |
| Druglikeness | 1.1302 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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