2-chloro-3-[(Z)-1-chloro-2-phenylethenyl]quinoxaline
Formula:C16H10N2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-chloro-3-[(Z)-1-chloro-2-phenylethenyl]quinoxaline is a drug-like molecule.
| MolName | 2-chloro-3-[(Z)-1-chloro-2-phenylethenyl]quinoxaline |
| MolecularFormula | C16H10N2Cl2 |
| Smiles | Cl/C(/c1nc2ccccc2nc1Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C16H10Cl2N2/c17-12(10-11-6-2-1-3-7-11)15-16(18)20-14-9-5-4-8-13(14)19-15/h1-10H |
| InChIK | RPKDUPOQJJBRFW-UHFFFAOYSA-N |
| TotalMolweight | 301.175 |
| Molweight | 301.175 |
| MonoisotopicMass | 300.022102 |
| CLogP | 4.3403 |
| CLogS | -3.23 |
| H Acceptors | 2 |
| TotalSurfaceArea | 220.69 |
| Relative PSA | 0.099415 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -0.73342 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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