2-[(E)-2-(4-chlorophenyl)ethenyl]quinoxaline
Formula:C16H11N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoxaline is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoxaline |
| MolecularFormula | C16H11N2Cl |
| Smiles | Clc1ccc(/C=C/c2nc3ccccc3nc2)cc1 |
| InChI | InChI=1S/C16H11ClN2/c17-13-8-5-12(6-9-13)7-10-14-11-18-15-3-1-2-4-16(15)19-14/h1-11H |
| InChIK | QZILBASVMYBAFI-UHFFFAOYSA-N |
| TotalMolweight | 266.73 |
| Molweight | 266.73 |
| MonoisotopicMass | 266.061075 |
| CLogP | 3.9642 |
| CLogS | -4.318 |
| H Acceptors | 2 |
| TotalSurfaceArea | 207.06 |
| Relative PSA | 0.10596 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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