4-fluoro-N-[(E)-(6-fluoro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline
Formula:C13H8N4F2S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-fluoro-N-[(E)-(6-fluoro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline is a drug-like molecule.
| MolName | 4-fluoro-N-[(E)-(6-fluoro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline |
| MolecularFormula | C13H8N4F2S |
| Smiles | Fc(cc1)ccc1N/N=C1/Sc(cc(cc2)F)c2N=N1 |
| InChI | InChI=1S/C13H8F2N4S/c14-8-1-4-10(5-2-8)16-18-13-19-17-11-6-3-9(15)7-12(11)20-13/h1-7,16H |
| InChIK | SESIPQFBHCUIRN-UHFFFAOYSA-N |
| TotalMolweight | 290.297 |
| Molweight | 290.297 |
| MonoisotopicMass | 290.043772 |
| CLogP | 4.1567 |
| CLogS | -5.475 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207.16 |
| Relative PSA | 0.30643 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | -4.4703 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-fluoro-N-[(E)-(6-fluoro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline | 2 - 4-fluoro-N-[(E)-(6-fluoro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off