2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoxaline
Formula:C17H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoxaline is a drug-like molecule.
| MolName | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoxaline |
| MolecularFormula | C17H12N2O2 |
| Smiles | C1Oc(cc(/C=C/c2nc3ccccc3nc2)cc2)c2O1 |
| InChI | InChI=1S/C17H12N2O2/c1-2-4-15-14(3-1)18-10-13(19-15)7-5-12-6-8-16-17(9-12)21-11-20-16/h1-10H,11H2 |
| InChIK | LGIOSNXCCIPHHL-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 3.4696 |
| CLogS | -4.293 |
| H Acceptors | 4 |
| TotalSurfaceArea | 211.9 |
| Relative PSA | 0.19792 |
| PolarSurfaceArea | 44.24 |
| Druglikeness | -1.4481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoxaline | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoxaline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off