1-[(E)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enyl]piperidine
Formula:C15H17NClF3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
1-[(E)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enyl]piperidine is a drug-like molecule.
| MolName | 1-[(E)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enyl]piperidine |
| MolecularFormula | C15H17NClF3 |
| Smiles | FC(/C(/Cl)=C(\CN1CCCCC1)/c1ccccc1)(F)F |
| InChI | InChI=1S/C15H17ClF3N/c16-14(15(17,18)19)13(12-7-3-1-4-8-12)11-20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIK | LIALCDZEIFUYGA-UHFFFAOYSA-N |
| TotalMolweight | 303.754 |
| Molweight | 303.754 |
| MonoisotopicMass | 303.10016 |
| CLogP | 4.343 |
| CLogS | -3.763 |
| H Acceptors | 1 |
| TotalSurfaceArea | 220.42 |
| Relative PSA | 0.016106 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | -5.0983 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enyl]piperidine | 2 - 1-[(E)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enyl]piperidine
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