(E)-1-(4-bromophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine
Formula:C17H17N3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine |
| MolecularFormula | C17H17N3BrCl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C17H17BrClN3/c18-15-3-1-14(2-4-15)13-20-22-11-9-21(10-12-22)17-7-5-16(19)6-8-17/h1-8,13H,9-12H2 |
| InChIK | KIGBNWZCSQCRCT-UHFFFAOYSA-N |
| TotalMolweight | 378.7 |
| Molweight | 378.7 |
| MonoisotopicMass | 377.029435 |
| CLogP | 4.4273 |
| CLogS | -4.748 |
| H Acceptors | 3 |
| TotalSurfaceArea | 253.97 |
| Relative PSA | 0.073276 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 4.8783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| 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 | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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