3-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
Formula:C23H17N4O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is a drug-like molecule.
| MolName | 3-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide |
| MolecularFormula | C23H17N4O5F3 |
| Smiles | [O-][N+](c1cccc(/C=N\OCC(Nc2cccc(C(Nc3cccc(C(F)(F)F)c3)=O)c2)=O)c1)=O |
| InChI | InChI=1S/C23H17F3N4O5/c24-23(25,26)17-6-3-8-19(12-17)29-22(32)16-5-2-7-18(11-16)28-21(31)14-35-27-13-15-4-1-9-20(10-15)30(33)34/h1-13H,14H2,(H,28,31)(H,29,32) |
| InChIK | DXMGLZPEEDLWEX-UHFFFAOYSA-N |
| TotalMolweight | 486.405 |
| Molweight | 486.405 |
| MonoisotopicMass | 486.115105 |
| CLogP | 4.2842 |
| CLogS | -6.343 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 352.85 |
| Relative PSA | 0.28604 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -10.181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide | 2 - 3-[[2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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