(E)-N-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-enamide
Formula:C21H17N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-enamide |
| MolecularFormula | C21H17N2OBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cc1)ccc1Nc1ccccc1 |
| InChI | InChI=1S/C21H17BrN2O/c22-17-9-6-16(7-10-17)8-15-21(25)24-20-13-11-19(12-14-20)23-18-4-2-1-3-5-18/h1-15,23H,(H,24,25) |
| InChIK | IPJOINJZBQPLBN-UHFFFAOYSA-N |
| TotalMolweight | 393.283 |
| Molweight | 393.283 |
| MonoisotopicMass | 392.052424 |
| CLogP | 5.3919 |
| CLogS | -5.91 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 278.58 |
| Relative PSA | 0.12908 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -2.2289 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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