3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-quinoxalin-2-one
Formula:C16H10N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-quinoxalin-2-one |
| MolecularFormula | C16H10N2OCl2 |
| Smiles | O=C1Nc(cccc2)c2N=C1/C=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H10Cl2N2O/c17-11-7-5-10(12(18)9-11)6-8-15-16(21)20-14-4-2-1-3-13(14)19-15/h1-9H,(H,20,21) |
| InChIK | DNWBQZMPXFFMSV-UHFFFAOYSA-N |
| TotalMolweight | 317.174 |
| Molweight | 317.174 |
| MonoisotopicMass | 316.017017 |
| CLogP | 3.4469 |
| CLogS | -5.024 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.04 |
| Relative PSA | 0.15722 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-quinoxalin-2-one | 2 - 3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-quinoxalin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off