(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
Formula:C19H10O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C19H10O2Cl2S |
| Smiles | O=C1c(cccc2)c2S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H10Cl2O2S/c20-14-6-3-5-12(18(14)21)15-9-8-11(23-15)10-17-19(22)13-4-1-2-7-16(13)24-17/h1-10H |
| InChIK | KDLKCJLCHKBCNE-UHFFFAOYSA-N |
| TotalMolweight | 373.258 |
| Molweight | 373.258 |
| MonoisotopicMass | 371.977854 |
| CLogP | 5.2206 |
| CLogS | -7.688 |
| H Acceptors | 2 |
| TotalSurfaceArea | 259.76 |
| Relative PSA | 0.17185 |
| PolarSurfaceArea | 55.51 |
| Druglikeness | 2.5958 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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