(Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(2,4-dichlorophenyl)methoxy]methanimine
Formula:C21H16N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(2,4-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(2,4-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C21H16N2O3Cl2S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(ccc(Cl)c1)c1Cl)cc1)c1SCc1ccccc1)=O |
| InChI | InChI=1S/C21H16Cl2N2O3S/c22-18-8-7-17(19(23)11-18)13-28-24-12-16-6-9-21(20(10-16)25(26)27)29-14-15-4-2-1-3-5-15/h1-12H,13-14H2 |
| InChIK | UEUIRMCVLYHOOZ-UHFFFAOYSA-N |
| TotalMolweight | 447.341 |
| Molweight | 447.341 |
| MonoisotopicMass | 446.025867 |
| CLogP | 6.0875 |
| CLogS | -8.003 |
| H Acceptors | 5 |
| TotalSurfaceArea | 327.06 |
| Relative PSA | 0.21225 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -4.4096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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