(Z)-1-(2-chloro-6-fluorophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine
Formula:C17H16N3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-chloro-6-fluorophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chloro-6-fluorophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine |
| MolecularFormula | C17H16N3Cl2F |
| Smiles | Fc1cccc(Cl)c1C=NN(CC1)CCN1c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H16Cl2FN3/c18-13-4-6-14(7-5-13)22-8-10-23(11-9-22)21-12-15-16(19)2-1-3-17(15)20/h1-7,12H,8-11H2 |
| InChIK | BLRKUAJJYQRREJ-UHFFFAOYSA-N |
| TotalMolweight | 352.239 |
| Molweight | 352.239 |
| MonoisotopicMass | 351.070529 |
| CLogP | 4.4089 |
| CLogS | -4.964 |
| H Acceptors | 3 |
| TotalSurfaceArea | 257.11 |
| Relative PSA | 0.072381 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 5.3283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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