(E)-3-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)prop-2-enamide
Formula:C15H10NOCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C15H10NOCl2F |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10Cl2FNO/c16-10-4-6-11(7-5-10)19-15(20)9-8-12-13(17)2-1-3-14(12)18/h1-9H,(H,19,20) |
| InChIK | MATVGGSSCMXPRR-UHFFFAOYSA-N |
| TotalMolweight | 310.154 |
| Molweight | 310.154 |
| MonoisotopicMass | 309.012346 |
| CLogP | 4.4491 |
| CLogS | -5.284 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 225.92 |
| Relative PSA | 0.10845 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.7029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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