1-[5-(3-nitrophenyl)furan-2-yl]-N-phenylmethanimine oxide
Formula:C17H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[5-(3-nitrophenyl)furan-2-yl]-N-phenylmethanimine oxide is a drug-like molecule.
| MolName | 1-[5-(3-nitrophenyl)furan-2-yl]-N-phenylmethanimine oxide |
| MolecularFormula | C17H12N2O4 |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c1ccc(-c2cccc([N+]([O-])=O)c2)o1 |
| InChI | InChI=1S/C17H12N2O4/c20-18(14-6-2-1-3-7-14)12-16-9-10-17(23-16)13-5-4-8-15(11-13)19(21)22/h1-12H |
| InChIK | XZWPJRWXBMJBGM-UHFFFAOYSA-N |
| TotalMolweight | 308.292 |
| Molweight | 308.292 |
| MonoisotopicMass | 308.079708 |
| CLogP | 3.0331 |
| CLogS | -5.548 |
| H Acceptors | 6 |
| TotalSurfaceArea | 236.77 |
| Relative PSA | 0.26148 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | -4.6931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; nitrone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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