(Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Formula:C18H18N3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C18H18N3BrClF |
| Smiles | Fc(cc1)c(/C=N\N2CCN(Cc(cc3)ccc3Cl)CC2)cc1Br |
| InChI | InChI=1S/C18H18BrClFN3/c19-16-3-6-18(21)15(11-16)12-22-24-9-7-23(8-10-24)13-14-1-4-17(20)5-2-14/h1-6,11-12H,7-10,13H2 |
| InChIK | FOJNXULFZVMRLV-UHFFFAOYSA-N |
| TotalMolweight | 410.717 |
| Molweight | 410.717 |
| MonoisotopicMass | 409.035663 |
| CLogP | 4.451 |
| CLogS | -4.54 |
| H Acceptors | 3 |
| TotalSurfaceArea | 274.08 |
| Relative PSA | 0.0679 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 4.0065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine | 2 - (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
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