(NE)-N-[(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methylidene]hydroxylamine
Formula:C15H8NO2Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(NE)-N-[(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methylidene]hydroxylamine |
| MolecularFormula | C15H8NO2Br3 |
| Smiles | O/N=C(/c1cc2cc(Br)cc(Br)c2o1)\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H8Br3NO2/c16-10-3-1-8(2-4-10)14(19-20)13-6-9-5-11(17)7-12(18)15(9)21-13/h1-7,20H |
| InChIK | BSAWUWFAPRCRJG-UHFFFAOYSA-N |
| TotalMolweight | 473.946 |
| Molweight | 473.946 |
| MonoisotopicMass | 470.810512 |
| CLogP | 6.0922 |
| CLogS | -7.776 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.52 |
| Relative PSA | 0.15966 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | -2.3872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NE)-N-[(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methylidene]hydroxylamine | 2 - (NE)-N-[(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methylidene]hydroxylamine
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