(NZ)-N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene]hydroxylamine
Formula:C13H9NO2BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene]hydroxylamine |
| MolecularFormula | C13H9NO2BrF |
| Smiles | O/N=C\c(cccc1)c1Oc(ccc(Br)c1)c1F |
| InChI | InChI=1S/C13H9BrFNO2/c14-10-5-6-13(11(15)7-10)18-12-4-2-1-3-9(12)8-16-17/h1-8,17H |
| InChIK | ACEWLXJZGVFVRT-UHFFFAOYSA-N |
| TotalMolweight | 310.121 |
| Molweight | 310.121 |
| MonoisotopicMass | 308.980068 |
| CLogP | 4.4359 |
| CLogS | -5.76 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.11 |
| Relative PSA | 0.17382 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -4.1242 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (NZ)-N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene]hydroxylamine
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