3-[(E)-2-thiophen-2-ylethenyl]-1H-quinoxalin-2-one
Formula:C14H10N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-thiophen-2-ylethenyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(E)-2-thiophen-2-ylethenyl]-1H-quinoxalin-2-one |
| MolecularFormula | C14H10N2OS |
| Smiles | O=C1Nc(cccc2)c2N=C1/C=C/c1cccs1 |
| InChI | InChI=1S/C14H10N2OS/c17-14-13(8-7-10-4-3-9-18-10)15-11-5-1-2-6-12(11)16-14/h1-9H,(H,16,17) |
| InChIK | DPAFRZPZFHBARE-UHFFFAOYSA-N |
| TotalMolweight | 254.312 |
| Molweight | 254.312 |
| MonoisotopicMass | 254.051383 |
| CLogP | 2.1015 |
| CLogS | -3.562 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 194.14 |
| Relative PSA | 0.29036 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.8729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(E)-2-thiophen-2-ylethenyl]-1H-quinoxalin-2-one | 2 - 3-[(E)-2-thiophen-2-ylethenyl]-1H-quinoxalin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off