N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C13H10N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C13H10N4O6 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc(cc2)ccc2[N+]([O-])=O)=O)o1)=O |
| InChI | InChI=1S/C13H10N4O6/c18-12(7-9-1-3-10(4-2-9)16(19)20)15-14-8-11-5-6-13(23-11)17(21)22/h1-6,8H,7H2,(H,15,18) |
| InChIK | ZHQFDFNOWCGLLO-UHFFFAOYSA-N |
| TotalMolweight | 318.244 |
| Molweight | 318.244 |
| MonoisotopicMass | 318.060036 |
| CLogP | 0.8966 |
| CLogS | -4.813 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 237.78 |
| Relative PSA | 0.46665 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | 3.0598 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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