3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one |
| MolecularFormula | C16H12N2O |
| Smiles | O=C1Nc(cccc2)c2N=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H12N2O/c19-16-15(11-10-12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18-16/h1-11H,(H,18,19) |
| InChIK | YJELPRGDOSBSKK-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 2.2349 |
| CLogS | -3.552 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.2 |
| Relative PSA | 0.18169 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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