(Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
Formula:C21H15N2O3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(2,6-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(2,6-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C21H15N2O3Cl3S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(c(Cl)ccc1)c1Cl)cc1)c1SCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H15Cl3N2O3S/c22-16-7-4-14(5-8-16)13-30-21-9-6-15(10-20(21)26(27)28)11-25-29-12-17-18(23)2-1-3-19(17)24/h1-11H,12-13H2 |
| InChIK | CVAYKWKIEAPITP-UHFFFAOYSA-N |
| TotalMolweight | 481.786 |
| Molweight | 481.786 |
| MonoisotopicMass | 479.986894 |
| CLogP | 6.6935 |
| CLogS | -8.739 |
| H Acceptors | 5 |
| TotalSurfaceArea | 342.48 |
| Relative PSA | 0.2027 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -4.4096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(2,6-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
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