1-benzyl-4-[(Z)-2-bromo-3-phenylprop-2-enyl]piperazine
Formula:C20H23N2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
1-benzyl-4-[(Z)-2-bromo-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-benzyl-4-[(Z)-2-bromo-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C20H23N2Br |
| Smiles | Br/C(/CN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 |
| InChI | InChI=1S/C20H23BrN2/c21-20(15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2 |
| InChIK | CQUFTOFGPLNOAF-UHFFFAOYSA-N |
| TotalMolweight | 371.321 |
| Molweight | 371.321 |
| MonoisotopicMass | 370.104459 |
| CLogP | 4.1328 |
| CLogS | -3.372 |
| H Acceptors | 2 |
| TotalSurfaceArea | 266.02 |
| Relative PSA | 0.02669 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 0.98629 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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