(E)-2-bromo-N-[(Z)-[2-bromo-1-(4-bromophenyl)ethylidene]amino]-1-(4-bromophenyl)ethanimine
Formula:C16H12N2Br4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(E)-2-bromo-N-[(Z)-[2-bromo-1-(4-bromophenyl)ethylidene]amino]-1-(4-bromophenyl)ethanimine is not a drug-like molecule.
| MolName | (E)-2-bromo-N-[(Z)-[2-bromo-1-(4-bromophenyl)ethylidene]amino]-1-(4-bromophenyl)ethanimine |
| MolecularFormula | C16H12N2Br4 |
| Smiles | BrC/C(/c(cc1)ccc1Br)=N\N=C(\CBr)/c(cc1)ccc1Br |
| InChI | InChI=1S/C16H12Br4N2/c17-9-15(11-1-5-13(19)6-2-11)21-22-16(10-18)12-3-7-14(20)8-4-12/h1-8H,9-10H2 |
| InChIK | WSWCDAXVRAVEEJ-UHFFFAOYSA-N |
| TotalMolweight | 551.901 |
| Molweight | 551.901 |
| MonoisotopicMass | 547.773392 |
| CLogP | 6.8324 |
| CLogS | -7.606 |
| H Acceptors | 2 |
| TotalSurfaceArea | 281 |
| Relative PSA | 0.081922 |
| PolarSurfaceArea | 24.72 |
| Druglikeness | -5.1192 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide; dimethylene-hydrazine |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-2-bromo-N-[(Z)-[2-bromo-1-(4-bromophenyl)ethylidene]amino]-1-(4-bromophenyl)ethanimine | 2 - (E)-2-bromo-N-[(Z)-[2-bromo-1-(4-bromophenyl)ethylidene]amino]-1-(4-bromophenyl)ethanimine
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