(3E)-3-[(2,4-dichlorophenyl)methylidene]indene-1,2-dione
Formula:C16H8O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(2,4-dichlorophenyl)methylidene]indene-1,2-dione is a drug-like molecule.
| MolName | (3E)-3-[(2,4-dichlorophenyl)methylidene]indene-1,2-dione |
| MolecularFormula | C16H8O2Cl2 |
| Smiles | O=C(/C(/c1c2cccc1)=C/c(ccc(Cl)c1)c1Cl)C2=O |
| InChI | InChI=1S/C16H8Cl2O2/c17-10-6-5-9(14(18)8-10)7-13-11-3-1-2-4-12(11)15(19)16(13)20/h1-8H |
| InChIK | WPPVENGAYIISBE-UHFFFAOYSA-N |
| TotalMolweight | 303.144 |
| Molweight | 303.144 |
| MonoisotopicMass | 301.990134 |
| CLogP | 3.924 |
| CLogS | -5.105 |
| H Acceptors | 2 |
| TotalSurfaceArea | 210.57 |
| Relative PSA | 0.12385 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -3.5411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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