N'-hydroxy-4-nitrobenzenecarboximidamide
Formula:C7H7N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-nitrobenzenecarboximidamide |
| MolecularFormula | C7H7N3O3 |
| Smiles | N/C(/c(cc1)ccc1[N+]([O-])=O)=N/O |
| InChI | InChI=1S/C7H7N3O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H,(H2,8,9) |
| InChIK | SRNSBDNIAKCXGI-UHFFFAOYSA-N |
| TotalMolweight | 181.151 |
| Molweight | 181.151 |
| MonoisotopicMass | 181.048742 |
| CLogP | 0.4467 |
| CLogS | -2.54 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 134.77 |
| Relative PSA | 0.52163 |
| PolarSurfaceArea | 104.43 |
| Druglikeness | -6.7377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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