(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-benzothiophen-3-one
Formula:C15H8O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C15H8O2Cl2S |
| Smiles | Oc(c(/C=C1\Sc(cccc2)c2C1=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H8Cl2O2S/c16-9-5-8(14(18)11(17)7-9)6-13-15(19)10-3-1-2-4-12(10)20-13/h1-7,18H |
| InChIK | JEIHSIWEYWSWGH-UHFFFAOYSA-N |
| TotalMolweight | 323.199 |
| Molweight | 323.199 |
| MonoisotopicMass | 321.962204 |
| CLogP | 3.936 |
| CLogS | -5.932 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 216.66 |
| Relative PSA | 0.20138 |
| PolarSurfaceArea | 62.6 |
| Druglikeness | 1.5048 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-benzothiophen-3-one | 2 - (2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-benzothiophen-3-one
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