(2Z)-2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
Formula:C22H12O2Br2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C22H12O2Br2Cl2S |
| Smiles | O=C1c(cccc2)c2S/C1=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H12Br2Cl2O2S/c23-14-7-13(8-20-21(27)16-3-1-2-4-19(16)29-20)22(17(24)9-14)28-11-12-5-6-15(25)10-18(12)26/h1-10H,11H2 |
| InChIK | JECKTTMNLHPQCY-UHFFFAOYSA-N |
| TotalMolweight | 571.115 |
| Molweight | 571.115 |
| MonoisotopicMass | 567.830176 |
| CLogP | 7.0802 |
| CLogS | -9.237 |
| H Acceptors | 2 |
| TotalSurfaceArea | 331.09 |
| Relative PSA | 0.12241 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | -0.53799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (2Z)-2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one | 2 - (2Z)-2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
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