(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-naphthalen-2-ylprop-2-enamide
Formula:C20H12N2OClF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-naphthalen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-naphthalen-2-ylprop-2-enamide |
| MolecularFormula | C20H12N2OClF |
| Smiles | N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C20H12ClFN2O/c21-18-6-3-7-19(22)17(18)11-15(12-23)20(25)24-16-9-8-13-4-1-2-5-14(13)10-16/h1-11H,(H,24,25) |
| InChIK | UIWAPEZKEXWPPN-UHFFFAOYSA-N |
| TotalMolweight | 350.779 |
| Molweight | 350.779 |
| MonoisotopicMass | 350.062218 |
| CLogP | 4.8895 |
| CLogS | -6.426 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.02 |
| Relative PSA | 0.14361 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.0415 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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