(Z)-1-(4-morpholin-4-yl-3-nitrophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
Formula:C19H18N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-morpholin-4-yl-3-nitrophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-(4-morpholin-4-yl-3-nitrophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine |
| MolecularFormula | C19H18N3O4F3 |
| Smiles | [O-][N+](c(cc(/C=N\OCc1ccc(C(F)(F)F)cc1)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H18F3N3O4/c20-19(21,22)16-4-1-14(2-5-16)13-29-23-12-15-3-6-17(18(11-15)25(26)27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13H2 |
| InChIK | XDBORIFNKIMPDS-UHFFFAOYSA-N |
| TotalMolweight | 409.363 |
| Molweight | 409.363 |
| MonoisotopicMass | 409.124941 |
| CLogP | 3.4314 |
| CLogS | -4.983 |
| H Acceptors | 7 |
| TotalSurfaceArea | 296.51 |
| Relative PSA | 0.22084 |
| PolarSurfaceArea | 79.88 |
| Druglikeness | -10.114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-(4-morpholin-4-yl-3-nitrophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine | 2 - (Z)-1-(4-morpholin-4-yl-3-nitrophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
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