(Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
Formula:C18H17N3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C18H17N3ClF3 |
| Smiles | FC(c1c(/C=N\N(CC2)CCN2c(cc2)ccc2Cl)cccc1)(F)F |
| InChI | InChI=1S/C18H17ClF3N3/c19-15-5-7-16(8-6-15)24-9-11-25(12-10-24)23-13-14-3-1-2-4-17(14)18(20,21)22/h1-8,13H,9-12H2 |
| InChIK | BEKZQSZTOFIQAG-UHFFFAOYSA-N |
| TotalMolweight | 367.801 |
| Molweight | 367.801 |
| MonoisotopicMass | 367.106308 |
| CLogP | 4.5504 |
| CLogS | -4.692 |
| H Acceptors | 3 |
| TotalSurfaceArea | 264.8 |
| Relative PSA | 0.070279 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | -0.52166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine | 2 - (Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
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