3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinoxalin-2-one
Formula:C16H11N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinoxalin-2-one |
| MolecularFormula | C16H11N2OCl |
| Smiles | O=C1Nc(cccc2)c2N=C1/C=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11ClN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20) |
| InChIK | JDTBHHULRIMROO-UHFFFAOYSA-N |
| TotalMolweight | 282.729 |
| Molweight | 282.729 |
| MonoisotopicMass | 282.05599 |
| CLogP | 2.8409 |
| CLogS | -4.288 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.62 |
| Relative PSA | 0.16857 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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