(E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Formula:C7H4NO5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-nitrofuran-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(5-nitrofuran-2-yl)prop-2-enoate |
| MolecularFormula | C7H4NO5 |
| Smiles | [O-]C(/C=C/c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/p-1 |
| InChIK | LWOWNIPZHGWKNR-UHFFFAOYSA-M |
| TotalMolweight | 182.111 |
| Molweight | 182.111 |
| MonoisotopicMass | 182.008949 |
| CLogP | -1.9836 |
| CLogS | -2.666 |
| H Acceptors | 6 |
| TotalSurfaceArea | 138.4 |
| Relative PSA | 0.51915 |
| PolarSurfaceArea | 99.09 |
| Druglikeness | -2.8593 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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