N-[2-[(E)-2-phenylethenyl]phenyl]benzamide
Formula:C21H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(E)-2-phenylethenyl]phenyl]benzamide is not a drug-like molecule.
| MolName | N-[2-[(E)-2-phenylethenyl]phenyl]benzamide |
| MolecularFormula | C21H17NO |
| Smiles | O=C(c1ccccc1)Nc1c(/C=C/c2ccccc2)cccc1 |
| InChI | InChI=1S/C21H17NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1-16H,(H,22,23) |
| InChIK | DXXMITXVJCWSKX-UHFFFAOYSA-N |
| TotalMolweight | 299.372 |
| Molweight | 299.372 |
| MonoisotopicMass | 299.131014 |
| CLogP | 5.0141 |
| CLogS | -5.264 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.49 |
| Relative PSA | 0.098596 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.8875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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