[(E)-(4,5-dibromofuran-2-yl)methylideneamino]thiourea
Formula:C6H5N3OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(4,5-dibromofuran-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-(4,5-dibromofuran-2-yl)methylideneamino]thiourea |
| MolecularFormula | C6H5N3OBr2S |
| Smiles | NC(N/N=C/c(o1)cc(Br)c1Br)=S |
| InChI | InChI=1S/C6H5Br2N3OS/c7-4-1-3(12-5(4)8)2-10-11-6(9)13/h1-2H,(H3,9,11,13) |
| InChIK | UETQBSZDSYSNIK-UHFFFAOYSA-N |
| TotalMolweight | 327 |
| Molweight | 327 |
| MonoisotopicMass | 324.852004 |
| CLogP | 2.2685 |
| CLogS | -4.011 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 177.66 |
| Relative PSA | 0.45227 |
| PolarSurfaceArea | 95.64 |
| Druglikeness | -2.9635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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