3-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-quinoxalin-2-one
Formula:C16H11N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-quinoxalin-2-one |
| MolecularFormula | C16H11N4OF3 |
| Smiles | O=C1Nc(cccc2)c2N=C1N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H11F3N4O/c17-16(18,19)11-5-3-4-10(8-11)9-20-23-14-15(24)22-13-7-2-1-6-12(13)21-14/h1-9H,(H,21,23)(H,22,24) |
| InChIK | RZHVYSUQGDQTST-UHFFFAOYSA-N |
| TotalMolweight | 332.284 |
| Molweight | 332.284 |
| MonoisotopicMass | 332.088495 |
| CLogP | 2.3325 |
| CLogS | -4.435 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.38 |
| Relative PSA | 0.24846 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | -2.5555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-quinoxalin-2-one | 2 - 3-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-quinoxalin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off