(2Z)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
Formula:C16H11OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H11OBr |
| Smiles | O=C(/C(/C1)=C\c(cc2)ccc2Br)c2c1cccc2 |
| InChI | InChI=1S/C16H11BrO/c17-14-7-5-11(6-8-14)9-13-10-12-3-1-2-4-15(12)16(13)18/h1-9H,10H2 |
| InChIK | OXSRYCQUCRVPGD-UHFFFAOYSA-N |
| TotalMolweight | 299.166 |
| Molweight | 299.166 |
| MonoisotopicMass | 297.999326 |
| CLogP | 4.396 |
| CLogS | -4.847 |
| H Acceptors | 1 |
| TotalSurfaceArea | 194.37 |
| Relative PSA | 0.067089 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.98405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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