(E)-2-cyano-N-(2-fluorophenyl)-3-naphthalen-1-ylprop-2-enamide
Formula:C20H13N2OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-(2-fluorophenyl)-3-naphthalen-1-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-fluorophenyl)-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H13N2OF |
| Smiles | N#C/C(/C(Nc(cccc1)c1F)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H13FN2O/c21-18-10-3-4-11-19(18)23-20(24)16(13-22)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-12H,(H,23,24) |
| InChIK | KJRVYIWQMLZMOU-UHFFFAOYSA-N |
| TotalMolweight | 316.334 |
| Molweight | 316.334 |
| MonoisotopicMass | 316.101191 |
| CLogP | 4.2835 |
| CLogS | -5.69 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.6 |
| Relative PSA | 0.15248 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.0989 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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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