(E)-1-(2-chloro-6-fluorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C17H17N3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-chloro-6-fluorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(2-chloro-6-fluorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C17H17N3ClF |
| Smiles | Fc1cccc(Cl)c1/C=N/N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C17H17ClFN3/c18-16-7-4-8-17(19)15(16)13-20-22-11-9-21(10-12-22)14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| InChIK | DUBIUPVDOCJPSK-UHFFFAOYSA-N |
| TotalMolweight | 317.794 |
| Molweight | 317.794 |
| MonoisotopicMass | 317.109502 |
| CLogP | 3.8029 |
| CLogS | -4.228 |
| H Acceptors | 3 |
| TotalSurfaceArea | 241.69 |
| Relative PSA | 0.076999 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 5.3283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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