4-bromo-N'-hydroxybutanimidamide
Formula:C4H9N2OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
4-bromo-N'-hydroxybutanimidamide is a drug-like molecule.
| MolName | 4-bromo-N'-hydroxybutanimidamide |
| MolecularFormula | C4H9N2OBr |
| Smiles | N/C(/CCCBr)=N/O |
| InChI | InChI=1S/C4H9BrN2O/c5-3-1-2-4(6)7-8/h8H,1-3H2,(H2,6,7) |
| InChIK | IPKVGCISFYFBHA-UHFFFAOYSA-N |
| TotalMolweight | 181.032 |
| Molweight | 181.032 |
| MonoisotopicMass | 179.989824 |
| CLogP | 1.1936 |
| CLogS | -1.993 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 111.25 |
| Relative PSA | 0.35847 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -15.42 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.875 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Sp3Atoms | 4 |
| StereoCon |
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