3-bromo-6-[(Z)-2-(4-bromophenyl)ethenyl]phenanthrene
Formula:C22H14Br2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
3-bromo-6-[(Z)-2-(4-bromophenyl)ethenyl]phenanthrene is not a drug-like molecule.
| MolName | 3-bromo-6-[(Z)-2-(4-bromophenyl)ethenyl]phenanthrene |
| MolecularFormula | C22H14Br2 |
| Smiles | Brc1ccc(/C=C\c2cc3c(cc(cc4)Br)c4ccc3cc2)cc1 |
| InChI | InChI=1S/C22H14Br2/c23-19-10-4-15(5-11-19)1-2-16-3-6-17-7-8-18-9-12-20(24)14-22(18)21(17)13-16/h1-14H |
| InChIK | ADIWSIXCLUZBGI-UHFFFAOYSA-N |
| TotalMolweight | 438.161 |
| Molweight | 438.161 |
| MonoisotopicMass | 435.946222 |
| CLogP | 7.7058 |
| CLogS | -8.632 |
| TotalSurfaceArea | 265.98 |
| Druglikeness | -3.5124 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-bromo-6-[(Z)-2-(4-bromophenyl)ethenyl]phenanthrene | 2 - 3-bromo-6-[(Z)-2-(4-bromophenyl)ethenyl]phenanthrene
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