N'-hydroxy-5-nitrothiophene-3-carboximidamide
Formula:C5H5N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-5-nitrothiophene-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-5-nitrothiophene-3-carboximidamide |
| MolecularFormula | C5H5N3O3S |
| Smiles | N/C(/c1csc([N+]([O-])=O)c1)=N/O |
| InChI | InChI=1S/C5H5N3O3S/c6-5(7-9)3-1-4(8(10)11)12-2-3/h1-2,9H,(H2,6,7) |
| InChIK | FYOIAZHRRXGKCR-UHFFFAOYSA-N |
| TotalMolweight | 187.179 |
| Molweight | 187.179 |
| MonoisotopicMass | 187.005162 |
| CLogP | 0.4207 |
| CLogS | -2.59 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 130.71 |
| Relative PSA | 0.6936 |
| PolarSurfaceArea | 132.67 |
| Druglikeness | -5.3455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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