(E)-N-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
Formula:C18H18N3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (E)-N-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C18H18N3F3 |
| Smiles | FC(c1c(/C=N/N(CC2)CCN2c2ccccc2)cccc1)(F)F |
| InChI | InChI=1S/C18H18F3N3/c19-18(20,21)17-9-5-4-6-15(17)14-22-24-12-10-23(11-13-24)16-7-2-1-3-8-16/h1-9,14H,10-13H2 |
| InChIK | GGOXFMUVLWGXAA-UHFFFAOYSA-N |
| TotalMolweight | 333.356 |
| Molweight | 333.356 |
| MonoisotopicMass | 333.145281 |
| CLogP | 3.9444 |
| CLogS | -3.956 |
| H Acceptors | 3 |
| TotalSurfaceArea | 249.38 |
| Relative PSA | 0.074625 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | -0.46395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| 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 | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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