4-bromo-N'-hydroxybenzenecarboximidamide
Formula:C7H7N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-bromo-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C7H7N2OBr |
| Smiles | N/C(/c(cc1)ccc1Br)=N/O |
| InChI | InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10) |
| InChIK | KCHIZOZPSSURRB-UHFFFAOYSA-N |
| TotalMolweight | 215.05 |
| Molweight | 215.05 |
| MonoisotopicMass | 213.974174 |
| CLogP | 2.0935 |
| CLogS | -2.914 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 129.73 |
| Relative PSA | 0.30741 |
| PolarSurfaceArea | 58.61 |
| Druglikeness | -3.4548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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