2-nitro-5-[(E)-2-phenoxyethenyl]furan
Formula:C12H9NO4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-nitro-5-[(E)-2-phenoxyethenyl]furan is a drug-like molecule.
| MolName | 2-nitro-5-[(E)-2-phenoxyethenyl]furan |
| MolecularFormula | C12H9NO4 |
| Smiles | [O-][N+](c1ccc(/C=C/Oc2ccccc2)o1)=O |
| InChI | InChI=1S/C12H9NO4/c14-13(15)12-7-6-11(17-12)8-9-16-10-4-2-1-3-5-10/h1-9H |
| InChIK | BFJBULULQWZMNQ-UHFFFAOYSA-N |
| TotalMolweight | 231.206 |
| Molweight | 231.206 |
| MonoisotopicMass | 231.053159 |
| CLogP | 1.9388 |
| CLogS | -4.323 |
| H Acceptors | 5 |
| TotalSurfaceArea | 182.88 |
| Relative PSA | 0.29817 |
| PolarSurfaceArea | 68.19 |
| Druglikeness | -3.9303 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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