(2Z)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
Formula:C22H14O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C22H14O2BrClS |
| Smiles | O=C1c(cccc2)c2S/C1=C\c(cc1)cc(Br)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14BrClO2S/c23-18-11-15(12-21-22(25)17-3-1-2-4-20(17)27-21)7-10-19(18)26-13-14-5-8-16(24)9-6-14/h1-12H,13H2 |
| InChIK | VVGGPPBEFRCXMO-UHFFFAOYSA-N |
| TotalMolweight | 457.774 |
| Molweight | 457.774 |
| MonoisotopicMass | 455.958638 |
| CLogP | 5.749 |
| CLogS | -7.667 |
| H Acceptors | 2 |
| TotalSurfaceArea | 297.04 |
| Relative PSA | 0.13645 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | -0.53799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2Z)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one | 2 - (2Z)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
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