N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C20H15N4O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C20H15N4O4F3 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)o1)=O |
| InChI | InChI=1S/C20H15F3N4O4/c21-20(22,23)14-2-1-3-15(10-14)24-12-19(28)26-25-11-17-8-9-18(31-17)13-4-6-16(7-5-13)27(29)30/h1-11,24H,12H2,(H,26,28) |
| InChIK | JFPIKGKUGIABKB-UHFFFAOYSA-N |
| TotalMolweight | 432.357 |
| Molweight | 432.357 |
| MonoisotopicMass | 432.10454 |
| CLogP | 3.3591 |
| CLogS | -6.241 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.79 |
| Relative PSA | 0.29226 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | -5.2376 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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