N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]benzamide
Formula:C28H22N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]benzamide is not a drug-like molecule.
| MolName | N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]benzamide |
| MolecularFormula | C28H22N2O2 |
| Smiles | O=C(c1ccccc1)Nc1ccc(/C=C/c(cc2)ccc2NC(c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C28H22N2O2/c31-27(23-7-3-1-4-8-23)29-25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)30-28(32)24-9-5-2-6-10-24/h1-20H,(H,29,31)(H,30,32) |
| InChIK | OLWMSXPKBVMLAD-UHFFFAOYSA-N |
| TotalMolweight | 418.495 |
| Molweight | 418.495 |
| MonoisotopicMass | 418.168128 |
| CLogP | 6.1616 |
| CLogS | -6.776 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 337.46 |
| Relative PSA | 0.1452 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 0.8875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 20 |
| Amides | 2 |
| StereoCon |
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