(E)-1,1,1-trifluoro-4-(N-pyridin-2-ylanilino)but-3-en-2-one
Formula:C15H11N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-(N-pyridin-2-ylanilino)but-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-(N-pyridin-2-ylanilino)but-3-en-2-one |
| MolecularFormula | C15H11N2OF3 |
| Smiles | O=C(C(F)(F)F)/C=C/N(c1ccccc1)c1ncccc1 |
| InChI | InChI=1S/C15H11F3N2O/c16-15(17,18)13(21)9-11-20(12-6-2-1-3-7-12)14-8-4-5-10-19-14/h1-11H |
| InChIK | RXWQYXZWMIOFAP-UHFFFAOYSA-N |
| TotalMolweight | 292.259 |
| Molweight | 292.259 |
| MonoisotopicMass | 292.082347 |
| CLogP | 2.0655 |
| CLogS | -4.858 |
| H Acceptors | 3 |
| TotalSurfaceArea | 215.79 |
| Relative PSA | 0.12772 |
| PolarSurfaceArea | 33.2 |
| Druglikeness | -32.013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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