[(E)-(5-bromothiophen-2-yl)methylideneamino]urea
Formula:C6H6N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(5-bromothiophen-2-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(E)-(5-bromothiophen-2-yl)methylideneamino]urea |
| MolecularFormula | C6H6N3OBrS |
| Smiles | NC(N/N=C/c(s1)ccc1Br)=O |
| InChI | InChI=1S/C6H6BrN3OS/c7-5-2-1-4(12-5)3-9-10-6(8)11/h1-3H,(H3,8,10,11) |
| InChIK | SAAGLMZTTHQOJX-UHFFFAOYSA-N |
| TotalMolweight | 248.104 |
| Molweight | 248.104 |
| MonoisotopicMass | 246.941493 |
| CLogP | 1.9318 |
| CLogS | -3.675 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 150.32 |
| Relative PSA | 0.47658 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 2.1468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| 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 |
| Amides | 1 |
| StereoCon |
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