(2,3,4,5,6-pentafluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C20H17N2OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2,3,4,5,6-pentafluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (2,3,4,5,6-pentafluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C20H17N2OF5 |
| Smiles | O=C(c(c(F)c(c(F)c1F)F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H17F5N2O/c21-15-14(16(22)18(24)19(25)17(15)23)20(28)27-11-9-26(10-12-27)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2 |
| InChIK | SWHYHCGLNTWYNW-UHFFFAOYSA-N |
| TotalMolweight | 396.358 |
| Molweight | 396.358 |
| MonoisotopicMass | 396.126103 |
| CLogP | 4.1266 |
| CLogS | -4.238 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.92 |
| Relative PSA | 0.070686 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 6.7587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2,3,4,5,6-pentafluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - (2,3,4,5,6-pentafluorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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