2-(4-fluoroanilino)-N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H14N4O4F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-fluoroanilino)-N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-fluoroanilino)-N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N4O4F2 |
| Smiles | [O-][N+](c(cc(cc1)F)c1-c1ccc(/C=N\NC(CNc(cc2)ccc2F)=O)o1)=O |
| InChI | InChI=1S/C19H14F2N4O4/c20-12-1-4-14(5-2-12)22-11-19(26)24-23-10-15-6-8-18(29-15)16-7-3-13(21)9-17(16)25(27)28/h1-10,22H,11H2,(H,24,26) |
| InChIK | OYFMGRVEIWYALO-UHFFFAOYSA-N |
| TotalMolweight | 400.34 |
| Molweight | 400.34 |
| MonoisotopicMass | 400.098312 |
| CLogP | 2.7124 |
| CLogS | -6.091 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 298.03 |
| Relative PSA | 0.30869 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 0.61239 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-fluoroanilino)-N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-fluoroanilino)-N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
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