(2Z)-2-[(3-bromo-4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Formula:C17H12OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[(3-bromo-4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-bromo-4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C17H12OBrF |
| Smiles | O=C(/C(/CC1)=C\c(cc2)cc(Br)c2F)c2c1cccc2 |
| InChI | InChI=1S/C17H12BrFO/c18-15-10-11(5-8-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8-10H,6-7H2 |
| InChIK | BTFKJZNIESHVHK-UHFFFAOYSA-N |
| TotalMolweight | 331.183 |
| Molweight | 331.183 |
| MonoisotopicMass | 330.005554 |
| CLogP | 4.8388 |
| CLogS | -5.431 |
| H Acceptors | 1 |
| TotalSurfaceArea | 214.48 |
| Relative PSA | 0.060798 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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