(6E)-6-[(2-chloro-6-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C18H14OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-[(2-chloro-6-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is not a drug-like molecule.
| MolName | (6E)-6-[(2-chloro-6-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C18H14OClF |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H14ClFO/c19-16-9-4-10-17(20)15(16)11-13-7-3-6-12-5-1-2-8-14(12)18(13)21/h1-2,4-5,8-11H,3,6-7H2 |
| InChIK | VXDMXCAUDBILGD-UHFFFAOYSA-N |
| TotalMolweight | 300.759 |
| Molweight | 300.759 |
| MonoisotopicMass | 300.07172 |
| CLogP | 5.0616 |
| CLogS | -5.603 |
| H Acceptors | 1 |
| TotalSurfaceArea | 225.03 |
| Relative PSA | 0.057948 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (6E)-6-[(2-chloro-6-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one | 2 - (6E)-6-[(2-chloro-6-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
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