N'-hydroxy-5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide
Formula:C11H9N3O6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide |
| MolecularFormula | C11H9N3O6S |
| Smiles | N/C(/c(o1)ccc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=N\O |
| InChI | InChI=1S/C11H9N3O6S/c12-11(13-15)9-5-6-10(20-9)21(18,19)8-3-1-7(2-4-8)14(16)17/h1-6,15H,(H2,12,13) |
| InChIK | GWGYAJBUNHKETM-UHFFFAOYSA-N |
| TotalMolweight | 311.273 |
| Molweight | 311.273 |
| MonoisotopicMass | 311.021207 |
| CLogP | 0.438 |
| CLogS | -3.521 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 212.8 |
| Relative PSA | 0.53097 |
| PolarSurfaceArea | 160.09 |
| Druglikeness | -7.9348 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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