(E)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
Formula:C14H12NO2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C14H12NO2F |
| Smiles | O=C(/C=C/c1ccco1)NCc(cc1)ccc1F |
| InChI | InChI=1S/C14H12FNO2/c15-12-5-3-11(4-6-12)10-16-14(17)8-7-13-2-1-9-18-13/h1-9H,10H2,(H,16,17) |
| InChIK | XLLFVULPPOKHKG-UHFFFAOYSA-N |
| TotalMolweight | 245.252 |
| Molweight | 245.252 |
| MonoisotopicMass | 245.085207 |
| CLogP | 2.1352 |
| CLogS | -3.31 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.53 |
| Relative PSA | 0.19448 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -1.0976 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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