| MolName | (2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C18H14O2F2 |
| Smiles | O=C(/C(/CC1)=C\c(cc2)ccc2OC(F)F)c2c1cccc2 |
| InChI | InChI=1S/C18H14F2O2/c19-18(20)22-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)21/h1-6,9-11,18H,7-8H2 |
| InChIK | ACOUZXYPJJRNQU-UHFFFAOYSA-N |
| TotalMolweight | 300.303 |
| Molweight | 300.303 |
| MonoisotopicMass | 300.096186 |
| CLogP | 4.1822 |
| CLogS | -4.905 |
| H Acceptors | 2 |
| TotalSurfaceArea | 224.7 |
| Relative PSA | 0.10254 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.9653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one | 2 - (2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-1-one