(2Z)-6-hydroxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one
Formula:C13H7NO6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-6-hydroxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-6-hydroxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one |
| MolecularFormula | C13H7NO6 |
| Smiles | [O-][N+](c1ccc(/C=C2\Oc(cc(cc3)O)c3C2=O)o1)=O |
| InChI | InChI=1S/C13H7NO6/c15-7-1-3-9-10(5-7)20-11(13(9)16)6-8-2-4-12(19-8)14(17)18/h1-6,15H |
| InChIK | FVOJXUXJPGCVMX-UHFFFAOYSA-N |
| TotalMolweight | 273.2 |
| Molweight | 273.2 |
| MonoisotopicMass | 273.027339 |
| CLogP | 1.5914 |
| CLogS | -4.513 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 191.69 |
| Relative PSA | 0.42084 |
| PolarSurfaceArea | 105.49 |
| Druglikeness | -2.6885 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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