1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C28H30N2OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is not a drug-like molecule.
| MolName | 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C28H30N2OF2 |
| Smiles | Fc1ccc(C(c(cc2)ccc2F)OCCN2CCN(C/C=C/c3ccccc3)CC2)cc1 |
| InChI | InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2 |
| InChIK | DASHZBBQOARCMQ-UHFFFAOYSA-N |
| TotalMolweight | 448.555 |
| Molweight | 448.555 |
| MonoisotopicMass | 448.232619 |
| CLogP | 5.3651 |
| CLogS | -4.348 |
| H Acceptors | 3 |
| TotalSurfaceArea | 357.9 |
| Relative PSA | 0.047779 |
| PolarSurfaceArea | 15.71 |
| Druglikeness | 5.2013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 13 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine | 2 - 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
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