(E)-N-(3-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
Formula:C19H12NO2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide |
| MolecularFormula | C19H12NO2BrCl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C19H12BrCl2NO2/c20-13-2-1-3-16(10-13)23-19(24)7-5-17-4-6-18(25-17)12-8-14(21)11-15(22)9-12/h1-11H,(H,23,24) |
| InChIK | TXPWBKFRMCWTHH-UHFFFAOYSA-N |
| TotalMolweight | 437.119 |
| Molweight | 437.119 |
| MonoisotopicMass | 434.942844 |
| CLogP | 6.0124 |
| CLogS | -7.264 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 287.65 |
| Relative PSA | 0.13423 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -0.68796 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-(3-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
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