3-(trifluoromethyl)-1H-benzo[g]quinoxalin-2-one
Formula:C13H7N2OF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
3-(trifluoromethyl)-1H-benzo[g]quinoxalin-2-one is a drug-like molecule.
| MolName | 3-(trifluoromethyl)-1H-benzo[g]quinoxalin-2-one |
| MolecularFormula | C13H7N2OF3 |
| Smiles | O=C1Nc2cc3ccccc3cc2N=C1C(F)(F)F |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)11-12(19)18-10-6-8-4-2-1-3-7(8)5-9(10)17-11/h1-6H,(H,18,19) |
| InChIK | FLOKVRACNNBAGH-UHFFFAOYSA-N |
| TotalMolweight | 264.206 |
| Molweight | 264.206 |
| MonoisotopicMass | 264.051047 |
| CLogP | 2.1406 |
| CLogS | -4.358 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 176 |
| Relative PSA | 0.2046 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -6.6066 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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