4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,3-dihydroquinoxalin-2-one
Formula:C15H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,3-dihydroquinoxalin-2-one is a drug-like molecule.
| MolName | 4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,3-dihydroquinoxalin-2-one |
| MolecularFormula | C15H12N2O2S |
| Smiles | O=C(/C=C/c1cccs1)N(C1)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C15H12N2O2S/c18-14-10-17(13-6-2-1-5-12(13)16-14)15(19)8-7-11-4-3-9-20-11/h1-9H,10H2,(H,16,18) |
| InChIK | DOVVYZMYAMROTN-UHFFFAOYSA-N |
| TotalMolweight | 284.338 |
| Molweight | 284.338 |
| MonoisotopicMass | 284.061948 |
| CLogP | 2.0262 |
| CLogS | -3.672 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.98 |
| Relative PSA | 0.28852 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 4.1553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,3-dihydroquinoxalin-2-one | 2 - 4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,3-dihydroquinoxalin-2-one
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