(E)-4-anilino-1,1,1-trifluorobut-3-en-2-one
Formula:C10H8NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-anilino-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.
| MolName | (E)-4-anilino-1,1,1-trifluorobut-3-en-2-one |
| MolecularFormula | C10H8NOF3 |
| Smiles | O=C(C(F)(F)F)/C=C/Nc1ccccc1 |
| InChI | InChI=1S/C10H8F3NO/c11-10(12,13)9(15)6-7-14-8-4-2-1-3-5-8/h1-7,14H |
| InChIK | PTCXQMALTDIQMW-UHFFFAOYSA-N |
| TotalMolweight | 215.174 |
| Molweight | 215.174 |
| MonoisotopicMass | 215.055798 |
| CLogP | 1.8066 |
| CLogS | -3.132 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 158.43 |
| Relative PSA | 0.15464 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -32.675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-4-anilino-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-anilino-1,1,1-trifluorobut-3-en-2-one
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