(E)-1,1,1-trifluoro-4-(4-phenylpiperazin-1-yl)but-3-en-2-one
Formula:C14H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-(4-phenylpiperazin-1-yl)but-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-(4-phenylpiperazin-1-yl)but-3-en-2-one |
| MolecularFormula | C14H15N2OF3 |
| Smiles | O=C(C(F)(F)F)/C=C/N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C14H15F3N2O/c15-14(16,17)13(20)6-7-18-8-10-19(11-9-18)12-4-2-1-3-5-12/h1-7H,8-11H2 |
| InChIK | WGTSWLHDBUPUBO-UHFFFAOYSA-N |
| TotalMolweight | 284.28 |
| Molweight | 284.28 |
| MonoisotopicMass | 284.113647 |
| CLogP | 1.938 |
| CLogS | -2.677 |
| H Acceptors | 3 |
| TotalSurfaceArea | 209.11 |
| Relative PSA | 0.096313 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | -28.059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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