N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H10N3O4FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H10N3O4FS |
| Smiles | [O-][N+](c(cc(cc1)F)c1-c1ccc(/C=N\NC(c2cccs2)=O)o1)=O |
| InChI | InChI=1S/C16H10FN3O4S/c17-10-3-5-12(13(8-10)20(22)23)14-6-4-11(24-14)9-18-19-16(21)15-2-1-7-25-15/h1-9H,(H,19,21) |
| InChIK | QYPAIFWTFJWJCJ-UHFFFAOYSA-N |
| TotalMolweight | 359.336 |
| Molweight | 359.336 |
| MonoisotopicMass | 359.037605 |
| CLogP | 3.1863 |
| CLogS | -5.965 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 262.4 |
| Relative PSA | 0.38453 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 1.419 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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