[(Z)-(5-bromofuran-2-yl)methylideneamino]thiourea
Formula:C6H6N3OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(5-bromofuran-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-bromofuran-2-yl)methylideneamino]thiourea |
| MolecularFormula | C6H6N3OBrS |
| Smiles | NC(N/N=C\c(o1)ccc1Br)=S |
| InChI | InChI=1S/C6H6BrN3OS/c7-5-2-1-4(11-5)3-9-10-6(8)12/h1-3H,(H3,8,10,12) |
| InChIK | HNKNESDIVDBPJC-UHFFFAOYSA-N |
| TotalMolweight | 248.104 |
| Molweight | 248.104 |
| MonoisotopicMass | 246.941493 |
| CLogP | 1.5433 |
| CLogS | -3.177 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 159.03 |
| Relative PSA | 0.50525 |
| PolarSurfaceArea | 95.64 |
| Druglikeness | 1.1579 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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