(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-fluorophenyl)methanimine
Formula:C18H20N3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-fluorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-fluorophenyl)methanimine |
| MolecularFormula | C18H20N3ClF |
| Smiles | Fc1cccc(/C=N\N2CC[NH+](Cc(cc3)ccc3Cl)CC2)c1 |
| InChI | InChI=1S/C18H19ClFN3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/p+1 |
| InChIK | WNRTZOXSXMYCLL-UHFFFAOYSA-O |
| TotalMolweight | 332.829 |
| Molweight | 332.829 |
| MonoisotopicMass | 332.132977 |
| CLogP | 1.6161 |
| CLogS | -3.706 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.49 |
| Relative PSA | 0.12115 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 2.5011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-fluorophenyl)methanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-fluorophenyl)methanimine
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