N-(3-nitrophenyl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
Formula:C17H13N4O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-nitrophenyl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide is a drug-like molecule.
| MolName | N-(3-nitrophenyl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide |
| MolecularFormula | C17H13N4O5F3 |
| Smiles | [O-][N+](c1cccc(NC(CO/N=C\C(Nc2cccc(C(F)(F)F)c2)=O)=O)c1)=O |
| InChI | InChI=1S/C17H13F3N4O5/c18-17(19,20)11-3-1-4-12(7-11)22-15(25)9-21-29-10-16(26)23-13-5-2-6-14(8-13)24(27)28/h1-9H,10H2,(H,22,25)(H,23,26) |
| InChIK | FTMRSDDQEXIDPI-UHFFFAOYSA-N |
| TotalMolweight | 410.307 |
| Molweight | 410.307 |
| MonoisotopicMass | 410.083805 |
| CLogP | 1.7681 |
| CLogS | -4.557 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 293.09 |
| Relative PSA | 0.34437 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -10.181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(3-nitrophenyl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide | 2 - N-(3-nitrophenyl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
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