(Z,E)-N-(4-benzylpiperazin-1-yl)-2-bromo-3-phenylprop-2-en-1-imine
Formula:C20H22N3Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z,E)-N-(4-benzylpiperazin-1-yl)-2-bromo-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-(4-benzylpiperazin-1-yl)-2-bromo-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H22N3Br |
| Smiles | Br/C(/C=N\N1CCN(Cc2ccccc2)CC1)=C/c1ccccc1 |
| InChI | InChI=1S/C20H22BrN3/c21-20(15-18-7-3-1-4-8-18)16-22-24-13-11-23(12-14-24)17-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2 |
| InChIK | DYNORDCFBLDDQF-UHFFFAOYSA-N |
| TotalMolweight | 384.32 |
| Molweight | 384.32 |
| MonoisotopicMass | 383.099708 |
| CLogP | 3.6299 |
| CLogS | -3.781 |
| H Acceptors | 3 |
| TotalSurfaceArea | 277.02 |
| Relative PSA | 0.067179 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 1.8005 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| 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 | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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