(E)-N-[(4-chlorophenyl)methoxy]-1-phenyl-2-(4-phenylpiperazin-1-yl)ethanimine
Formula:C25H26N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methoxy]-1-phenyl-2-(4-phenylpiperazin-1-yl)ethanimine is not a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methoxy]-1-phenyl-2-(4-phenylpiperazin-1-yl)ethanimine |
| MolecularFormula | C25H26N3OCl |
| Smiles | Clc1ccc(CO/N=C(/CN(CC2)CCN2c2ccccc2)\c2ccccc2)cc1 |
| InChI | InChI=1S/C25H26ClN3O/c26-23-13-11-21(12-14-23)20-30-27-25(22-7-3-1-4-8-22)19-28-15-17-29(18-16-28)24-9-5-2-6-10-24/h1-14H,15-20H2 |
| InChIK | ABKMXINBGZUFEM-UHFFFAOYSA-N |
| TotalMolweight | 419.954 |
| Molweight | 419.954 |
| MonoisotopicMass | 419.176439 |
| CLogP | 5.2467 |
| CLogS | -5.275 |
| H Acceptors | 4 |
| TotalSurfaceArea | 330.83 |
| Relative PSA | 0.086479 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.9573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 |
Click to Load Molecule:
1 - (E)-N-[(4-chlorophenyl)methoxy]-1-phenyl-2-(4-phenylpiperazin-1-yl)ethanimine | 2 - (E)-N-[(4-chlorophenyl)methoxy]-1-phenyl-2-(4-phenylpiperazin-1-yl)ethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off