3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
Formula:C7H6N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C7H6N2OBrF |
| Smiles | N/C(/c(cc1)cc(Br)c1F)=N/O |
| InChI | InChI=1S/C7H6BrFN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11) |
| InChIK | VDRMGMVSAHIQPD-UHFFFAOYSA-N |
| TotalMolweight | 233.04 |
| Molweight | 233.04 |
| MonoisotopicMass | 231.964752 |
| CLogP | 2.1943 |
| CLogS | -3.228 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 136.08 |
| Relative PSA | 0.29306 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -4.7948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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