N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H13N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H13N4O3F3 |
| Smiles | [O-][N+](c1c(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)cccc1)=O |
| InChI | InChI=1S/C16H13F3N4O3/c17-16(18,19)12-5-3-6-13(8-12)20-10-15(24)22-21-9-11-4-1-2-7-14(11)23(25)26/h1-9,20H,10H2,(H,22,24) |
| InChIK | UCADYBPEDPHFFT-UHFFFAOYSA-N |
| TotalMolweight | 366.298 |
| Molweight | 366.298 |
| MonoisotopicMass | 366.093975 |
| CLogP | 2.4202 |
| CLogS | -4.781 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.34 |
| Relative PSA | 0.29355 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -7.3192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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