(E)-N-(azepan-1-yl)-2-bromo-1-(4-phenylphenyl)ethanimine
Formula:C20H23N2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(azepan-1-yl)-2-bromo-1-(4-phenylphenyl)ethanimine is a drug-like molecule.
| MolName | (E)-N-(azepan-1-yl)-2-bromo-1-(4-phenylphenyl)ethanimine |
| MolecularFormula | C20H23N2Br |
| Smiles | BrC/C(/c(cc1)ccc1-c1ccccc1)=N/N1CCCCCC1 |
| InChI | InChI=1S/C20H23BrN2/c21-16-20(22-23-14-6-1-2-7-15-23)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2 |
| InChIK | OEEPHNZCFPKIMI-UHFFFAOYSA-N |
| TotalMolweight | 371.321 |
| Molweight | 371.321 |
| MonoisotopicMass | 370.104459 |
| CLogP | 4.9549 |
| CLogS | -5.979 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.74 |
| Relative PSA | 0.056249 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -6.3921 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (E)-N-(azepan-1-yl)-2-bromo-1-(4-phenylphenyl)ethanimine | 2 - (E)-N-(azepan-1-yl)-2-bromo-1-(4-phenylphenyl)ethanimine
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