N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzamide
Formula:C22H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzamide |
| MolecularFormula | C22H17NO2 |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)ccc1NC(c1ccccc1)=O |
| InChI | InChI=1S/C22H17NO2/c24-21(16-11-17-7-3-1-4-8-17)18-12-14-20(15-13-18)23-22(25)19-9-5-2-6-10-19/h1-16H,(H,23,25) |
| InChIK | ZBWAFFWEARHYGC-UHFFFAOYSA-N |
| TotalMolweight | 327.382 |
| Molweight | 327.382 |
| MonoisotopicMass | 327.125929 |
| CLogP | 4.4513 |
| CLogS | -5.352 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.24 |
| Relative PSA | 0.141 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 1.9919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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