(Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
Formula:C24H17N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C24H17N2OCl3S |
| Smiles | Clc1ccc(CSc2nc3ccccc3cc2/C=N\OCc(c(Cl)ccc2)c2Cl)cc1 |
| InChI | InChI=1S/C24H17Cl3N2OS/c25-19-10-8-16(9-11-19)15-31-24-18(12-17-4-1-2-7-23(17)29-24)13-28-30-14-20-21(26)5-3-6-22(20)27/h1-13H,14-15H2 |
| InChIK | BANOQCSENKCDES-UHFFFAOYSA-N |
| TotalMolweight | 487.837 |
| Molweight | 487.837 |
| MonoisotopicMass | 486.012714 |
| CLogP | 8.0285 |
| CLogS | -8.748 |
| H Acceptors | 3 |
| TotalSurfaceArea | 352.17 |
| Relative PSA | 0.14189 |
| PolarSurfaceArea | 59.78 |
| Druglikeness | 0.70409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
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