N-(2-nitrophenyl)hydroxylamine
Formula:C6H6N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-nitrophenyl)hydroxylamine is a drug-like molecule.
| MolName | N-(2-nitrophenyl)hydroxylamine |
| MolecularFormula | C6H6N2O3 |
| Smiles | [O-][N+](c(cccc1)c1NO)=O |
| InChI | InChI=1S/C6H6N2O3/c9-7-5-3-1-2-4-6(5)8(10)11/h1-4,7,9H |
| InChIK | ADEHRJVMSGIOHI-UHFFFAOYSA-N |
| TotalMolweight | 154.125 |
| Molweight | 154.125 |
| MonoisotopicMass | 154.037843 |
| CLogP | 1.348 |
| CLogS | -1.792 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 114.74 |
| Relative PSA | 0.47917 |
| PolarSurfaceArea | 78.08 |
| Druglikeness | -6.8409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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