(Z)-1,1,1-trifluoro-4-(2-phenoxyanilino)but-3-en-2-one
Formula:C16H12NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1,1,1-trifluoro-4-(2-phenoxyanilino)but-3-en-2-one is a drug-like molecule.
| MolName | (Z)-1,1,1-trifluoro-4-(2-phenoxyanilino)but-3-en-2-one |
| MolecularFormula | C16H12NO2F3 |
| Smiles | O=C(C(F)(F)F)/C=C\Nc(cccc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C16H12F3NO2/c17-16(18,19)15(21)10-11-20-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11,20H |
| InChIK | OURVZUKMEYDAEL-UHFFFAOYSA-N |
| TotalMolweight | 307.27 |
| Molweight | 307.27 |
| MonoisotopicMass | 307.082013 |
| CLogP | 3.2022 |
| CLogS | -5.429 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.19 |
| Relative PSA | 0.15119 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -32.72 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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