N-[(E)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C22H20N5O4F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C22H20N5O4F7 |
| Smiles | [O-][N+](c(c(N1CCOCC1)c1)cc(/C=N/Nc(c(F)c(c(C(F)(F)F)c2F)F)c2F)c1N1CCOCC1)=O |
| InChI | InChI=1S/C22H20F7N5O4/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)31-30-11-12-9-15(34(35)36)14(33-3-7-38-8-4-33)10-13(12)32-1-5-37-6-2-32/h9-11,31H,1-8H2 |
| InChIK | MVLKXNMGUVSGBT-UHFFFAOYSA-N |
| TotalMolweight | 551.418 |
| Molweight | 551.418 |
| MonoisotopicMass | 551.140351 |
| CLogP | 4.5088 |
| CLogS | -5.849 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 371.45 |
| Relative PSA | 0.21669 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | -9.0612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 10 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(E)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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