(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3H-inden-1-one
Formula:C16H10OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H10OClF |
| Smiles | O=C(/C(/C1)=C/c(c(F)ccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C16H10ClFO/c17-14-6-3-7-15(18)13(14)9-11-8-10-4-1-2-5-12(10)16(11)19/h1-7,9H,8H2 |
| InChIK | MLVPZNQXPDJUEK-UHFFFAOYSA-N |
| TotalMolweight | 272.705 |
| Molweight | 272.705 |
| MonoisotopicMass | 272.04042 |
| CLogP | 4.3776 |
| CLogS | -5.063 |
| H Acceptors | 1 |
| TotalSurfaceArea | 197.51 |
| Relative PSA | 0.066022 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.45697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| 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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