(6E)-6-[(4-bromophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C18H15OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-[(4-bromophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is not a drug-like molecule.
| MolName | (6E)-6-[(4-bromophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C18H15OBr |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrO/c19-16-10-8-13(9-11-16)12-15-6-3-5-14-4-1-2-7-17(14)18(15)20/h1-2,4,7-12H,3,5-6H2 |
| InChIK | MKLUVKHXILPJIR-UHFFFAOYSA-N |
| TotalMolweight | 327.22 |
| Molweight | 327.22 |
| MonoisotopicMass | 326.030626 |
| CLogP | 5.08 |
| CLogS | -5.387 |
| H Acceptors | 1 |
| TotalSurfaceArea | 221.89 |
| Relative PSA | 0.058768 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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