(E)-1-phenyl-3-quinoxalin-6-ylprop-2-en-1-one
Formula:C17H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-quinoxalin-6-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-quinoxalin-6-ylprop-2-en-1-one |
| MolecularFormula | C17H12N2O |
| Smiles | O=C(/C=C/c1cc2nccnc2cc1)c1ccccc1 |
| InChI | InChI=1S/C17H12N2O/c20-17(14-4-2-1-3-5-14)9-7-13-6-8-15-16(12-13)19-11-10-18-15/h1-12H |
| InChIK | MLZGULNJUUZRRX-UHFFFAOYSA-N |
| TotalMolweight | 260.295 |
| Molweight | 260.295 |
| MonoisotopicMass | 260.094963 |
| CLogP | 2.7414 |
| CLogS | -3.646 |
| H Acceptors | 3 |
| TotalSurfaceArea | 209.39 |
| Relative PSA | 0.16706 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 0.28859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-phenyl-3-quinoxalin-6-ylprop-2-en-1-one | 2 - (E)-1-phenyl-3-quinoxalin-6-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off