(3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one
Formula:C12H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one is a drug-like molecule.
| MolName | (3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one |
| MolecularFormula | C12H10N2O3 |
| Smiles | O=C1OCC/C1=C1\Nc(cccc2)c2NC1=O |
| InChI | InChI=1S/C12H10N2O3/c15-11-10(7-5-6-17-12(7)16)13-8-3-1-2-4-9(8)14-11/h1-4,13H,5-6H2,(H,14,15) |
| InChIK | OMVLKWMHXHNOKC-UHFFFAOYSA-N |
| TotalMolweight | 230.222 |
| Molweight | 230.222 |
| MonoisotopicMass | 230.069143 |
| CLogP | -0.184 |
| CLogS | -2.457 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 165.12 |
| Relative PSA | 0.35732 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 2.5796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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