2-N-[(E)-(2-fluorophenyl)methylideneamino]-3-N-[(Z)-(2-fluorophenyl)methylideneamino]quinoxaline-2,3-diamine
Formula:C22H16N6F2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-N-[(E)-(2-fluorophenyl)methylideneamino]-3-N-[(Z)-(2-fluorophenyl)methylideneamino]quinoxaline-2,3-diamine is not a drug-like molecule.
| MolName | 2-N-[(E)-(2-fluorophenyl)methylideneamino]-3-N-[(Z)-(2-fluorophenyl)methylideneamino]quinoxaline-2,3-diamine |
| MolecularFormula | C22H16N6F2 |
| Smiles | Fc1c(/C=N/Nc2nc3ccccc3nc2N/N=C\c(cccc2)c2F)cccc1 |
| InChI | InChI=1S/C22H16F2N6/c23-17-9-3-1-7-15(17)13-25-29-21-22(28-20-12-6-5-11-19(20)27-21)30-26-14-16-8-2-4-10-18(16)24/h1-14H,(H,27,29)(H,28,30) |
| InChIK | KGAQLTRAVFPSOD-UHFFFAOYSA-N |
| TotalMolweight | 402.407 |
| Molweight | 402.407 |
| MonoisotopicMass | 402.14045 |
| CLogP | 8.3642 |
| CLogS | -6.166 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.04 |
| Relative PSA | 0.21894 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 1.0825 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(E)-(2-fluorophenyl)methylideneamino]-3-N-[(Z)-(2-fluorophenyl)methylideneamino]quinoxaline-2,3-diamine | 2 - 2-N-[(E)-(2-fluorophenyl)methylideneamino]-3-N-[(Z)-(2-fluorophenyl)methylideneamino]quinoxaline-2,3-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off