6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C9H6N4OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C9H6N4OS |
| Smiles | C(c1ccco1)=C/c(s1)nn2c1nnc2 |
| InChI | InChI=1S/C9H6N4OS/c1-2-7(14-5-1)3-4-8-12-13-6-10-11-9(13)15-8/h1-6H |
| InChIK | DHLNCHZSGZDAAQ-UHFFFAOYSA-N |
| TotalMolweight | 218.24 |
| Molweight | 218.24 |
| MonoisotopicMass | 218.026231 |
| CLogP | 0.745 |
| CLogS | -0.786 |
| H Acceptors | 5 |
| TotalSurfaceArea | 166.68 |
| Relative PSA | 0.45194 |
| PolarSurfaceArea | 84.46 |
| Druglikeness | 3.3852 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off