(E)-3-(4-fluoroanilino)-1-phenylprop-2-en-1-one
Formula:C15H12NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluoroanilino)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-fluoroanilino)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H12NOF |
| Smiles | O=C(/C=C/Nc(cc1)ccc1F)c1ccccc1 |
| InChI | InChI=1S/C15H12FNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H |
| InChIK | BSQQOJXYUMFLJC-UHFFFAOYSA-N |
| TotalMolweight | 241.264 |
| Molweight | 241.264 |
| MonoisotopicMass | 241.090292 |
| CLogP | 2.5753 |
| CLogS | -4.1 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.08 |
| Relative PSA | 0.12559 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.75475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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