(2Z)-4-(4-bromophenyl)-2-[(4-bromophenyl)methylidene]-1,3-dithiole
Formula:C16H10Br2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-4-(4-bromophenyl)-2-[(4-bromophenyl)methylidene]-1,3-dithiole is not a drug-like molecule.
| MolName | (2Z)-4-(4-bromophenyl)-2-[(4-bromophenyl)methylidene]-1,3-dithiole |
| MolecularFormula | C16H10Br2S2 |
| Smiles | Brc1ccc(/C=C2\SC(c(cc3)ccc3Br)=CS2)cc1 |
| InChI | InChI=1S/C16H10Br2S2/c17-13-5-1-11(2-6-13)9-16-19-10-15(20-16)12-3-7-14(18)8-4-12/h1-10H |
| InChIK | YRSWKXRKPPAXSM-UHFFFAOYSA-N |
| TotalMolweight | 426.195 |
| Molweight | 426.195 |
| MonoisotopicMass | 423.859062 |
| CLogP | 7.4088 |
| CLogS | -5.279 |
| TotalSurfaceArea | 241.18 |
| Relative PSA | 0.14504 |
| PolarSurfaceArea | 50.6 |
| Druglikeness | -1.404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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