(E)-4-oxo-4-phenyl-2-[4-(trifluoromethoxy)anilino]but-2-enoate
Formula:C17H11NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-phenyl-2-[4-(trifluoromethoxy)anilino]but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-phenyl-2-[4-(trifluoromethoxy)anilino]but-2-enoate |
| MolecularFormula | C17H11NO4F3 |
| Smiles | [O-]C(/C(/Nc(cc1)ccc1OC(F)(F)F)=C\C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H12F3NO4/c18-17(19,20)25-13-8-6-12(7-9-13)21-14(16(23)24)10-15(22)11-4-2-1-3-5-11/h1-10,21H,(H,23,24)/p-1 |
| InChIK | QNUXHSJOVXHJJR-UHFFFAOYSA-M |
| TotalMolweight | 350.271 |
| Molweight | 350.271 |
| MonoisotopicMass | 350.064018 |
| CLogP | 1.4298 |
| CLogS | -4.54 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.68 |
| Relative PSA | 0.24563 |
| PolarSurfaceArea | 78.46 |
| Druglikeness | -5.9815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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