1-[(2-bromo-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C20H22N2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2-bromo-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-[(2-bromo-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C20H22N2BrF |
| Smiles | Fc1cccc(Br)c1CN1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H22BrFN2/c21-19-9-4-10-20(22)18(19)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2 |
| InChIK | NBGPKPCSHQODPF-UHFFFAOYSA-N |
| TotalMolweight | 389.311 |
| Molweight | 389.311 |
| MonoisotopicMass | 388.095037 |
| CLogP | 4.3662 |
| CLogS | -3.687 |
| H Acceptors | 2 |
| TotalSurfaceArea | 274.16 |
| Relative PSA | 0.025897 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 3.4415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 1-[(2-bromo-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine | 2 - 1-[(2-bromo-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
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