N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide
Formula:C7H8N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide is a drug-like molecule.
| MolName | N-(2-hydroxyethyl)-1-(5-nitrofuran-2-yl)methanimine oxide |
| MolecularFormula | C7H8N2O5 |
| Smiles | [O-]/[N+](/CCO)=C\c1ccc([N+]([O-])=O)o1 |
| InChI | InChI=1S/C7H8N2O5/c10-4-3-8(11)5-6-1-2-7(14-6)9(12)13/h1-2,5,10H,3-4H2 |
| InChIK | QSWZUVFMUIEHAG-UHFFFAOYSA-N |
| TotalMolweight | 200.15 |
| Molweight | 200.15 |
| MonoisotopicMass | 200.043323 |
| CLogP | -0.585 |
| CLogS | -0.237 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 151.12 |
| Relative PSA | 0.49636 |
| PolarSurfaceArea | 107.94 |
| Druglikeness | -3.5787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; nitrone |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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