6,8-dichloro-3-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]chromen-4-one
Formula:C18H8O3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
6,8-dichloro-3-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]chromen-4-one is a drug-like molecule.
| MolName | 6,8-dichloro-3-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]chromen-4-one |
| MolecularFormula | C18H8O3Cl2S |
| Smiles | O=C1c(cccc2)c2S/C1=C\C(C(c1cc(Cl)c2)=O)=COc1c2Cl |
| InChI | InChI=1S/C18H8Cl2O3S/c19-10-6-12-16(21)9(8-23-18(12)13(20)7-10)5-15-17(22)11-3-1-2-4-14(11)24-15/h1-8H |
| InChIK | GTEVRVQQNPLATQ-UHFFFAOYSA-N |
| TotalMolweight | 375.231 |
| Molweight | 375.231 |
| MonoisotopicMass | 373.957119 |
| CLogP | 4.0374 |
| CLogS | -6.798 |
| H Acceptors | 3 |
| TotalSurfaceArea | 249.27 |
| Relative PSA | 0.21491 |
| PolarSurfaceArea | 68.67 |
| Druglikeness | 1.7645 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 6,8-dichloro-3-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]chromen-4-one | 2 - 6,8-dichloro-3-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]chromen-4-one
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