(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine
Formula:C22H15N2O3Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine |
| MolecularFormula | C22H15N2O3Cl2F3S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(c(Cl)ccc1)c1Cl)cc1)c1SCc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C22H15Cl2F3N2O3S/c23-18-5-2-6-19(24)17(18)12-32-28-11-14-7-8-21(20(10-14)29(30)31)33-13-15-3-1-4-16(9-15)22(25,26)27/h1-11H,12-13H2 |
| InChIK | WPAADOSEUICRQK-UHFFFAOYSA-N |
| TotalMolweight | 515.338 |
| Molweight | 515.338 |
| MonoisotopicMass | 514.013251 |
| CLogP | 6.9358 |
| CLogS | -8.781 |
| H Acceptors | 5 |
| TotalSurfaceArea | 356.52 |
| Relative PSA | 0.19472 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -11.6 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine | 2 - (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine
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