(E)-N-(2,4-dichlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
Formula:C15H9NOCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,4-dichlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(2,4-dichlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H9NOCl4 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl4NO/c16-10-3-5-14(13(19)8-10)20-15(21)6-2-9-1-4-11(17)12(18)7-9/h1-8H,(H,20,21) |
| InChIK | VXUZELJDQHOFMW-UHFFFAOYSA-N |
| TotalMolweight | 361.054 |
| Molweight | 361.054 |
| MonoisotopicMass | 358.943822 |
| CLogP | 5.5603 |
| CLogS | -6.442 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.41 |
| Relative PSA | 0.09784 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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