N-(2,4-dinitrophenyl)hydroxylamine
Formula:C6H5N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(2,4-dinitrophenyl)hydroxylamine is a drug-like molecule.
| MolName | N-(2,4-dinitrophenyl)hydroxylamine |
| MolecularFormula | C6H5N3O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1NO)=O |
| InChI | InChI=1S/C6H5N3O5/c10-7-5-2-1-4(8(11)12)3-6(5)9(13)14/h1-3,7,10H |
| InChIK | IHUQJPKASFTOBM-UHFFFAOYSA-N |
| TotalMolweight | 199.122 |
| Molweight | 199.122 |
| MonoisotopicMass | 199.022922 |
| CLogP | 0.4264 |
| CLogS | -2.252 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 138.41 |
| Relative PSA | 0.61701 |
| PolarSurfaceArea | 123.9 |
| Druglikeness | -6.8409 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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