(E)-3-(2,4-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
Formula:C18H17NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide |
| MolecularFormula | C18H17NOCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCCc1ccccc1 |
| InChI | InChI=1S/C18H17Cl2NO/c19-16-10-8-15(17(20)13-16)9-11-18(22)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22) |
| InChIK | CALGHLVHMKOXLF-UHFFFAOYSA-N |
| TotalMolweight | 334.245 |
| Molweight | 334.245 |
| MonoisotopicMass | 333.068718 |
| CLogP | 4.9422 |
| CLogS | -5.168 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 260.85 |
| Relative PSA | 0.093924 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.9381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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