| MolName | (Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[(4-fluorophenyl)methoxy]methanimine |
| MolecularFormula | C18H15NOClF |
| Smiles | Fc1ccc(CO/N=C\C(CCc2c3cccc2)=C3Cl)cc1 |
| InChI | InChI=1S/C18H15ClFNO/c19-18-15(8-7-14-3-1-2-4-17(14)18)11-21-22-12-13-5-9-16(20)10-6-13/h1-6,9-11H,7-8,12H2 |
| InChIK | FRQLUQOXNGOXFP-UHFFFAOYSA-N |
| TotalMolweight | 315.774 |
| Molweight | 315.774 |
| MonoisotopicMass | 315.082619 |
| CLogP | 4.9045 |
| CLogS | -3.84 |
| H Acceptors | 2 |
| TotalSurfaceArea | 240.25 |
| Relative PSA | 0.089532 |
| PolarSurfaceArea | 21.59 |
| Druglikeness | -1.5046 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[(4-fluorophenyl)methoxy]methanimine | 2 - (Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[(4-fluorophenyl)methoxy]methanimine