3-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoxaline-2-carboxamide
Formula:C18H10N4OF6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoxaline-2-carboxamide is a drug-like molecule.
| MolName | 3-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoxaline-2-carboxamide |
| MolecularFormula | C18H10N4OF6 |
| Smiles | O=C(c1nc2ccccc2nc1C(F)(F)F)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C18H10F6N4O/c19-17(20,21)11-7-5-10(6-8-11)9-25-28-16(29)14-15(18(22,23)24)27-13-4-2-1-3-12(13)26-14/h1-9H,(H,28,29) |
| InChIK | YWKIIILKRRVWCG-UHFFFAOYSA-N |
| TotalMolweight | 412.292 |
| Molweight | 412.292 |
| MonoisotopicMass | 412.075879 |
| CLogP | 4.4438 |
| CLogS | -5.131 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.03 |
| Relative PSA | 0.20843 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | -2.7213 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoxaline-2-carboxamide | 2 - 3-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoxaline-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off