(NE)-N-[imidazol-1-yl-(4-nitrophenyl)methylidene]hydroxylamine
Formula:C10H8N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[imidazol-1-yl-(4-nitrophenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[imidazol-1-yl-(4-nitrophenyl)methylidene]hydroxylamine |
| MolecularFormula | C10H8N4O3 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/n1cncc1)=N\O)=O |
| InChI | InChI=1S/C10H8N4O3/c15-12-10(13-6-5-11-7-13)8-1-3-9(4-2-8)14(16)17/h1-7,15H |
| InChIK | SYRZBGJFQWYDOP-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | 1.4063 |
| CLogS | -3.421 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 173.97 |
| Relative PSA | 0.41887 |
| PolarSurfaceArea | 96.23 |
| Druglikeness | -3.7282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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