5-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminofuran-2-carboximidamide
Formula:C17H11N7O7
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
5-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminofuran-2-carboximidamide is not a drug-like molecule.
| MolName | 5-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminofuran-2-carboximidamide |
| MolecularFormula | C17H11N7O7 |
| Smiles | [O-][N+](c1ccc(/C(/N=N/c(cc2)ccc2[N+]([O-])=O)=N/Nc(cc2)ccc2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C17H11N7O7/c25-22(26)13-5-1-11(2-6-13)18-20-17(15-9-10-16(31-15)24(29)30)21-19-12-3-7-14(8-4-12)23(27)28/h1-10,18H |
| InChIK | PBLJENWVRDLRTJ-UHFFFAOYSA-N |
| TotalMolweight | 425.316 |
| Molweight | 425.316 |
| MonoisotopicMass | 425.071998 |
| CLogP | 3.3304 |
| CLogS | -6.545 |
| H Acceptors | 14 |
| H Donors | 1 |
| TotalSurfaceArea | 310.93 |
| Relative PSA | 0.4868 |
| PolarSurfaceArea | 199.71 |
| Druglikeness | -6.0059 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
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