(E)-2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
Formula:C26H28N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine is not a drug-like molecule.
| MolName | (E)-2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine |
| MolecularFormula | C26H28N3OCl |
| Smiles | Clc1ccc(CO/N=C(/CN2CCN(Cc3ccccc3)CC2)\c2ccccc2)cc1 |
| InChI | InChI=1S/C26H28ClN3O/c27-25-13-11-23(12-14-25)21-31-28-26(24-9-5-2-6-10-24)20-30-17-15-29(16-18-30)19-22-7-3-1-4-8-22/h1-14H,15-21H2 |
| InChIK | LQRDOURQCAQITO-UHFFFAOYSA-N |
| TotalMolweight | 433.981 |
| Molweight | 433.981 |
| MonoisotopicMass | 433.192089 |
| CLogP | 5.1696 |
| CLogS | -4.753 |
| H Acceptors | 4 |
| TotalSurfaceArea | 344.59 |
| Relative PSA | 0.083026 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 7.2665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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