(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
Formula:C24H15N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide |
| MolecularFormula | C24H15N2O2F |
| Smiles | N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c1ccc(-c(cccc2)c2F)o1 |
| InChI | InChI=1S/C24H15FN2O2/c25-22-8-4-3-7-21(22)23-12-11-20(29-23)14-18(15-26)24(28)27-19-10-9-16-5-1-2-6-17(16)13-19/h1-14H,(H,27,28) |
| InChIK | FFXFUJCQUTWTPH-UHFFFAOYSA-N |
| TotalMolweight | 382.393 |
| Molweight | 382.393 |
| MonoisotopicMass | 382.111756 |
| CLogP | 5.2224 |
| CLogS | -7.15 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.05 |
| Relative PSA | 0.17445 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -2.1019 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 1 |
| StereoCon |
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