(E)-3-(2-chloro-6-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
Formula:C19H13NOClF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide |
| MolecularFormula | C19H13NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H13ClFNO/c20-17-6-3-7-18(21)16(17)10-11-19(23)22-15-9-8-13-4-1-2-5-14(13)12-15/h1-12H,(H,22,23) |
| InChIK | ONONUPPYTYUXED-UHFFFAOYSA-N |
| TotalMolweight | 325.769 |
| Molweight | 325.769 |
| MonoisotopicMass | 325.066969 |
| CLogP | 5.0375 |
| CLogS | -6.154 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 245.1 |
| Relative PSA | 0.099959 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.7029 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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