| MolName | (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(4-fluorophenyl)methoxy]methanimine |
| MolecularFormula | C24H18N2OClFS |
| Smiles | Fc1ccc(CO/N=C\c2cc3ccccc3nc2SCc(cc2)ccc2Cl)cc1 |
| InChI | InChI=1S/C24H18ClFN2OS/c25-21-9-5-18(6-10-21)16-30-24-20(13-19-3-1-2-4-23(19)28-24)14-27-29-15-17-7-11-22(26)12-8-17/h1-14H,15-16H2 |
| InChIK | CGMRRCHRLXHWSU-UHFFFAOYSA-N |
| TotalMolweight | 436.937 |
| Molweight | 436.937 |
| MonoisotopicMass | 436.081238 |
| CLogP | 6.9173 |
| CLogS | -7.59 |
| H Acceptors | 3 |
| TotalSurfaceArea | 327.68 |
| Relative PSA | 0.1525 |
| PolarSurfaceArea | 59.78 |
| Druglikeness | -0.63591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(4-fluorophenyl)methoxy]methanimine | 2 - (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(4-fluorophenyl)methoxy]methanimine