N'-hydroxy-2-(2-nitrophenyl)ethanimidamide
Formula:C8H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-(2-nitrophenyl)ethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-(2-nitrophenyl)ethanimidamide |
| MolecularFormula | C8H9N3O3 |
| Smiles | N/C(/Cc(cccc1)c1[N+]([O-])=O)=N/O |
| InChI | InChI=1S/C8H9N3O3/c9-8(10-12)5-6-3-1-2-4-7(6)11(13)14/h1-4,12H,5H2,(H2,9,10) |
| InChIK | KKPLFHDOKYZHSU-UHFFFAOYSA-N |
| TotalMolweight | 195.177 |
| Molweight | 195.177 |
| MonoisotopicMass | 195.064392 |
| CLogP | 0.4448 |
| CLogS | -2.505 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 148.53 |
| Relative PSA | 0.47331 |
| PolarSurfaceArea | 104.43 |
| Druglikeness | -6.744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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