1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
Formula:C21H23N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine |
| MolecularFormula | C21H23N2OF3 |
| Smiles | FC(Oc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1)(F)F |
| InChI | InChI=1S/C21H23F3N2O/c22-21(23,24)27-20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2 |
| InChIK | IACSMTJRCAGQAZ-UHFFFAOYSA-N |
| TotalMolweight | 376.421 |
| Molweight | 376.421 |
| MonoisotopicMass | 376.176247 |
| CLogP | 4.6392 |
| CLogS | -3.562 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.64 |
| Relative PSA | 0.059243 |
| PolarSurfaceArea | 15.71 |
| Druglikeness | -1.7595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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