(Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Formula:C20H13N2O3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C20H13N2O3Cl3S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(cc1)cc(Cl)c1Cl)cc1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H13Cl3N2O3S/c21-15-3-5-16(6-4-15)29-20-8-2-13(10-19(20)25(26)27)11-24-28-12-14-1-7-17(22)18(23)9-14/h1-11H,12H2 |
| InChIK | HNDQBPAVJHZJDM-UHFFFAOYSA-N |
| TotalMolweight | 467.759 |
| Molweight | 467.759 |
| MonoisotopicMass | 465.971244 |
| CLogP | 6.5532 |
| CLogS | -8.096 |
| H Acceptors | 5 |
| TotalSurfaceArea | 328.72 |
| Relative PSA | 0.21118 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -4.5427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
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