2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
Formula:C15H10N2O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline |
| MolecularFormula | C15H10N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C/c2nc3ccccc3cc2)o1)=O |
| InChI | InChI=1S/C15H10N2O3/c18-17(19)15-10-9-13(20-15)8-7-12-6-5-11-3-1-2-4-14(11)16-12/h1-10H |
| InChIK | VCMFYVDIWRALAP-UHFFFAOYSA-N |
| TotalMolweight | 266.255 |
| Molweight | 266.255 |
| MonoisotopicMass | 266.069143 |
| CLogP | 2.8551 |
| CLogS | -5.149 |
| H Acceptors | 5 |
| TotalSurfaceArea | 206.24 |
| Relative PSA | 0.2691 |
| PolarSurfaceArea | 71.85 |
| Druglikeness | -3.3278 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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