(E)-N-(1-hydroxy-2-oxo-2-phenylethyl)-3-phenylprop-2-enamide
Formula:C17H15NO3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-N-(1-hydroxy-2-oxo-2-phenylethyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-hydroxy-2-oxo-2-phenylethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C17H15NO3 |
| Smiles | OC(C(c1ccccc1)=O)NC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C17H15NO3/c19-15(12-11-13-7-3-1-4-8-13)18-17(21)16(20)14-9-5-2-6-10-14/h1-12,17,21H,(H,18,19)/t17-/m0/s1 |
| InChIK | XZCOAQGWQVQPAV-KRWDZBQOSA-N |
| TotalMolweight | 281.31 |
| Molweight | 281.31 |
| MonoisotopicMass | 281.105194 |
| CLogP | 1.6798 |
| CLogS | -3.421 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 225.33 |
| Relative PSA | 0.22474 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 1.5037 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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