(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanimine
Formula:C21H13N2O3Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanimine |
| MolecularFormula | C21H13N2O3Cl2F3S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(c(Cl)ccc1)c1Cl)cc1)c1Sc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C21H13Cl2F3N2O3S/c22-17-5-2-6-18(23)16(17)12-31-27-11-13-7-8-20(19(9-13)28(29)30)32-15-4-1-3-14(10-15)21(24,25)26/h1-11H,12H2 |
| InChIK | MVBPSHUQQZGVTQ-UHFFFAOYSA-N |
| TotalMolweight | 501.311 |
| Molweight | 501.311 |
| MonoisotopicMass | 499.997601 |
| CLogP | 6.7955 |
| CLogS | -8.138 |
| H Acceptors | 5 |
| TotalSurfaceArea | 342.76 |
| Relative PSA | 0.20253 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -11.733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanimine | 2 - (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanimine
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