(2E)-2-[(4-bromothiophen-2-yl)methylidene]-3H-inden-1-one
Formula:C14H9OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-bromothiophen-2-yl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-bromothiophen-2-yl)methylidene]-3H-inden-1-one |
| MolecularFormula | C14H9OBrS |
| Smiles | O=C(/C(/C1)=C/c2cc(Br)cs2)c2c1cccc2 |
| InChI | InChI=1S/C14H9BrOS/c15-11-7-12(17-8-11)6-10-5-9-3-1-2-4-13(9)14(10)16/h1-4,6-8H,5H2 |
| InChIK | MAEGYFHHQARGNJ-UHFFFAOYSA-N |
| TotalMolweight | 305.194 |
| Molweight | 305.194 |
| MonoisotopicMass | 303.955746 |
| CLogP | 4.2626 |
| CLogS | -4.857 |
| H Acceptors | 1 |
| TotalSurfaceArea | 190.31 |
| Relative PSA | 0.1755 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | -3.3119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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