(Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
Formula:C18H19N3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C18H19N3BrClF |
| Smiles | Fc(cc1)c(/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)cc1Br |
| InChI | InChI=1S/C18H18BrClFN3/c19-16-5-6-18(21)15(11-16)12-22-24-9-7-23(8-10-24)13-14-3-1-2-4-17(14)20/h1-6,11-12H,7-10,13H2/p+1 |
| InChIK | FELSYUPUGJRGQG-UHFFFAOYSA-O |
| TotalMolweight | 411.725 |
| Molweight | 411.725 |
| MonoisotopicMass | 410.043488 |
| CLogP | 2.3413 |
| CLogS | -4.54 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.12 |
| Relative PSA | 0.11332 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 0.71109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine | 2 - (Z)-1-(5-bromo-2-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off