2-[(E)-2-(4-nitrophenyl)ethenyl]quinoxaline
Formula:C16H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-nitrophenyl)ethenyl]quinoxaline is a drug-like molecule.
| MolName | 2-[(E)-2-(4-nitrophenyl)ethenyl]quinoxaline |
| MolecularFormula | C16H11N3O2 |
| Smiles | [O-][N+](c1ccc(/C=C/c2nc3ccccc3nc2)cc1)=O |
| InChI | InChI=1S/C16H11N3O2/c20-19(21)14-9-6-12(7-10-14)5-8-13-11-17-15-3-1-2-4-16(15)18-13/h1-11H |
| InChIK | YIBUQXNYJHFBSC-UHFFFAOYSA-N |
| TotalMolweight | 277.282 |
| Molweight | 277.282 |
| MonoisotopicMass | 277.085127 |
| CLogP | 2.4366 |
| CLogS | -4.042 |
| H Acceptors | 5 |
| TotalSurfaceArea | 215.31 |
| Relative PSA | 0.24318 |
| PolarSurfaceArea | 71.6 |
| Druglikeness | -6.6608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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