2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylmethoxyquinoxaline
Formula:C23H17N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylmethoxyquinoxaline is a drug-like molecule.
| MolName | 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylmethoxyquinoxaline |
| MolecularFormula | C23H17N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C23H17N3O3/c27-26(28)19-10-6-9-17(15-19)13-14-22-23(29-16-18-7-2-1-3-8-18)25-21-12-5-4-11-20(21)24-22/h1-15H,16H2 |
| InChIK | DDQUMUXGOPPCFY-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 4.1361 |
| CLogS | -5.908 |
| H Acceptors | 6 |
| TotalSurfaceArea | 298.83 |
| Relative PSA | 0.20868 |
| PolarSurfaceArea | 80.83 |
| Druglikeness | -6.7405 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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