1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione
Formula:C8H8N4O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione is a drug-like molecule.
| MolName | 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione |
| MolecularFormula | C8H8N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\N(CCN2)C2=S)o1)=O |
| InChI | InChI=1S/C8H8N4O3S/c13-12(14)7-2-1-6(15-7)5-10-11-4-3-9-8(11)16/h1-2,5H,3-4H2,(H,9,16) |
| InChIK | KXXGBELYAHLJHU-UHFFFAOYSA-N |
| TotalMolweight | 240.243 |
| Molweight | 240.243 |
| MonoisotopicMass | 240.031711 |
| CLogP | 0.3405 |
| CLogS | -3.122 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 179.87 |
| Relative PSA | 0.55068 |
| PolarSurfaceArea | 118.68 |
| Druglikeness | 3.4678 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione | 2 - 1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off