N'-hydroxy-6-nitro-1-benzofuran-2-carboximidamide
Formula:C9H7N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-6-nitro-1-benzofuran-2-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-6-nitro-1-benzofuran-2-carboximidamide |
| MolecularFormula | C9H7N3O4 |
| Smiles | N/C(/c1cc(ccc([N+]([O-])=O)c2)c2o1)=N/O |
| InChI | InChI=1S/C9H7N3O4/c10-9(11-13)8-3-5-1-2-6(12(14)15)4-7(5)16-8/h1-4,13H,(H2,10,11) |
| InChIK | NHCGZHAAHRTBGU-UHFFFAOYSA-N |
| TotalMolweight | 221.172 |
| Molweight | 221.172 |
| MonoisotopicMass | 221.043657 |
| CLogP | 0.9523 |
| CLogS | -3.723 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 159.06 |
| Relative PSA | 0.53068 |
| PolarSurfaceArea | 117.57 |
| Druglikeness | -5.7062 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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