1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-fluorophenyl)piperazine
Formula:C19H20N2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-fluorophenyl)piperazine is a drug-like molecule.
| MolName | 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-fluorophenyl)piperazine |
| MolecularFormula | C19H20N2ClF |
| Smiles | Fc(cc1)ccc1N1CCN(C/C(/Cl)=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C19H20ClFN2/c20-17(14-16-4-2-1-3-5-16)15-22-10-12-23(13-11-22)19-8-6-18(21)7-9-19/h1-9,14H,10-13,15H2 |
| InChIK | XHLBWEGLRDDXID-UHFFFAOYSA-N |
| TotalMolweight | 330.833 |
| Molweight | 330.833 |
| MonoisotopicMass | 330.129903 |
| CLogP | 4.1797 |
| CLogS | -4.066 |
| H Acceptors | 2 |
| TotalSurfaceArea | 255.4 |
| Relative PSA | 0.0278 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 4.491 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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