(E)-N-(azepan-1-yl)-2-bromo-1-(4-bromophenyl)ethanimine
Formula:C14H18N2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(azepan-1-yl)-2-bromo-1-(4-bromophenyl)ethanimine is a drug-like molecule.
| MolName | (E)-N-(azepan-1-yl)-2-bromo-1-(4-bromophenyl)ethanimine |
| MolecularFormula | C14H18N2Br2 |
| Smiles | BrC/C(/c(cc1)ccc1Br)=N/N1CCCCCC1 |
| InChI | InChI=1S/C14H18Br2N2/c15-11-14(12-5-7-13(16)8-6-12)17-18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2 |
| InChIK | DYRFLMZCUAQFDS-UHFFFAOYSA-N |
| TotalMolweight | 374.119 |
| Molweight | 374.119 |
| MonoisotopicMass | 371.98367 |
| CLogP | 4.0209 |
| CLogS | -4.727 |
| H Acceptors | 2 |
| TotalSurfaceArea | 226.61 |
| Relative PSA | 0.066458 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -6.3921 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| StereoCon |
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