(2Z)-2-[(5-nitrofuran-2-yl)methylidene]-3H-inden-1-one
Formula:C14H9NO4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[(5-nitrofuran-2-yl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(5-nitrofuran-2-yl)methylidene]-3H-inden-1-one |
| MolecularFormula | C14H9NO4 |
| Smiles | [O-][N+](c1ccc(/C=C(/Cc2c3cccc2)\C3=O)o1)=O |
| InChI | InChI=1S/C14H9NO4/c16-14-10(7-9-3-1-2-4-12(9)14)8-11-5-6-13(19-11)15(17)18/h1-6,8H,7H2 |
| InChIK | LJDZAGYBGWESHH-UHFFFAOYSA-N |
| TotalMolweight | 255.228 |
| Molweight | 255.228 |
| MonoisotopicMass | 255.053159 |
| CLogP | 2.2893 |
| CLogS | -4.68 |
| H Acceptors | 5 |
| TotalSurfaceArea | 189.1 |
| Relative PSA | 0.30444 |
| PolarSurfaceArea | 76.03 |
| Druglikeness | -2.0926 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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