N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
Formula:C16H9N4ClF4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine |
| MolecularFormula | C16H9N4ClF4 |
| Smiles | FC(c1nc2ccccc2nc1N/N=C\c(c(F)ccc1)c1Cl)(F)F |
| InChI | InChI=1S/C16H9ClF4N4/c17-10-4-3-5-11(18)9(10)8-22-25-15-14(16(19,20)21)23-12-6-1-2-7-13(12)24-15/h1-8H,(H,24,25) |
| InChIK | VCRAIMKUKFCKHB-UHFFFAOYSA-N |
| TotalMolweight | 368.72 |
| Molweight | 368.72 |
| MonoisotopicMass | 368.045185 |
| CLogP | 6.239 |
| CLogS | -5.332 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.59 |
| Relative PSA | 0.1778 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off