(NE)-N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
Formula:C8H7NOBrF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(NE)-N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine |
| MolecularFormula | C8H7NOBrF |
| Smiles | O/N=C(/CBr)\c(cc1)ccc1F |
| InChI | InChI=1S/C8H7BrFNO/c9-5-8(11-12)6-1-3-7(10)4-2-6/h1-4,12H,5H2 |
| InChIK | UGORWQMWPIUIGG-UHFFFAOYSA-N |
| TotalMolweight | 232.052 |
| Molweight | 232.052 |
| MonoisotopicMass | 230.969503 |
| CLogP | 2.6133 |
| CLogS | -3.532 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 141.32 |
| Relative PSA | 0.17414 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -8.4675 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NE)-N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine | 2 - (NE)-N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
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