(2E)-2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one
Formula:C16H10OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H10OCl2 |
| Smiles | O=C(/C(/C1)=C/c(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C16H10Cl2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9H,7H2 |
| InChIK | KYTRQFXGXXRFBX-UHFFFAOYSA-N |
| TotalMolweight | 289.16 |
| Molweight | 289.16 |
| MonoisotopicMass | 288.010869 |
| CLogP | 4.8828 |
| CLogS | -5.485 |
| H Acceptors | 1 |
| TotalSurfaceArea | 206.58 |
| Relative PSA | 0.063123 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.88303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (2E)-2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one | 2 - (2E)-2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one
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