(E)-3-(4-bromophenyl)-N-dibenzofuran-3-ylprop-2-enamide
Formula:C21H14NO2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-dibenzofuran-3-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-dibenzofuran-3-ylprop-2-enamide |
| MolecularFormula | C21H14NO2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cc1)cc2c1c(cccc1)c1o2 |
| InChI | InChI=1S/C21H14BrNO2/c22-15-8-5-14(6-9-15)7-12-21(24)23-16-10-11-18-17-3-1-2-4-19(17)25-20(18)13-16/h1-13H,(H,23,24) |
| InChIK | CSYRCBUYFTUILY-UHFFFAOYSA-N |
| TotalMolweight | 392.251 |
| Molweight | 392.251 |
| MonoisotopicMass | 391.02079 |
| CLogP | 5.63 |
| CLogS | -6.992 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.25 |
| Relative PSA | 0.14501 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -2.2442 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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