(E)-N-[(4-chlorophenyl)methoxy]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanimine
Formula:C25H25N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methoxy]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanimine is not a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methoxy]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanimine |
| MolecularFormula | C25H25N3OCl2 |
| Smiles | Clc1ccc(CO/N=C(/CN(CC2)CCN2c(cc2)ccc2Cl)\c2ccccc2)cc1 |
| InChI | InChI=1S/C25H25Cl2N3O/c26-22-8-6-20(7-9-22)19-31-28-25(21-4-2-1-3-5-21)18-29-14-16-30(17-15-29)24-12-10-23(27)11-13-24/h1-13H,14-19H2 |
| InChIK | LJTWFJKJQBHPHK-UHFFFAOYSA-N |
| TotalMolweight | 454.4 |
| Molweight | 454.4 |
| MonoisotopicMass | 453.137466 |
| CLogP | 5.8527 |
| CLogS | -6.011 |
| H Acceptors | 4 |
| TotalSurfaceArea | 346.25 |
| Relative PSA | 0.082628 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.9573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[(4-chlorophenyl)methoxy]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanimine | 2 - (E)-N-[(4-chlorophenyl)methoxy]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethanimine
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