(E)-N-(4-chlorophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
Formula:C16H10N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-N-(4-chlorophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H10N2OClF |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cccc1)c1F |
| InChI | InChI=1S/C16H10ClFN2O/c17-13-5-7-14(8-6-13)20-16(21)12(10-19)9-11-3-1-2-4-15(11)18/h1-9H,(H,20,21) |
| InChIK | CZSUMOVTURABLS-UHFFFAOYSA-N |
| TotalMolweight | 300.719 |
| Molweight | 300.719 |
| MonoisotopicMass | 300.046568 |
| CLogP | 3.6951 |
| CLogS | -4.82 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.42 |
| Relative PSA | 0.16518 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.0415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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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