(Z)-N-(2-benzoyl-4-chlorophenyl)-2,3-diphenylprop-2-enamide
Formula:C28H20NO2Cl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-N-(2-benzoyl-4-chlorophenyl)-2,3-diphenylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-N-(2-benzoyl-4-chlorophenyl)-2,3-diphenylprop-2-enamide |
| MolecularFormula | C28H20NO2Cl |
| Smiles | O=C(/C(/c1ccccc1)=C\c1ccccc1)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O |
| InChI | InChI=1S/C28H20ClNO2/c29-23-16-17-26(25(19-23)27(31)22-14-8-3-9-15-22)30-28(32)24(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-19H,(H,30,32) |
| InChIK | NTSDKPCCMUBVHT-UHFFFAOYSA-N |
| TotalMolweight | 437.925 |
| Molweight | 437.925 |
| MonoisotopicMass | 437.118256 |
| CLogP | 6.2091 |
| CLogS | -7.291 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 339.63 |
| Relative PSA | 0.11053 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 2.8947 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| 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 | 6 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-N-(2-benzoyl-4-chlorophenyl)-2,3-diphenylprop-2-enamide | 2 - (Z)-N-(2-benzoyl-4-chlorophenyl)-2,3-diphenylprop-2-enamide
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