(E)-1-(4-fluorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Formula:C16H11NO2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-fluorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-fluorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one |
| MolecularFormula | C16H11NO2F4 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(cc1)ccc1F |
| InChI | InChI=1S/C16H11F4NO2/c17-12-3-1-11(2-4-12)15(22)9-10-21-13-5-7-14(8-6-13)23-16(18,19)20/h1-10,21H |
| InChIK | MDNGMSUEQHCTAJ-UHFFFAOYSA-N |
| TotalMolweight | 325.26 |
| Molweight | 325.26 |
| MonoisotopicMass | 325.072591 |
| CLogP | 3.6743 |
| CLogS | -5.123 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.54 |
| Relative PSA | 0.1471 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -7.46 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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