(NZ)-N-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
Formula:C14H10N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C14H10N2O4Br2 |
| Smiles | [O-][N+](c1cccc(COc(c(Br)cc(/C=N\O)c2)c2Br)c1)=O |
| InChI | InChI=1S/C14H10Br2N2O4/c15-12-5-10(7-17-19)6-13(16)14(12)22-8-9-2-1-3-11(4-9)18(20)21/h1-7,19H,8H2 |
| InChIK | DVIFVWPMAUPCFR-UHFFFAOYSA-N |
| TotalMolweight | 430.051 |
| Molweight | 430.051 |
| MonoisotopicMass | 427.90073 |
| CLogP | 4.0912 |
| CLogS | -5.784 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.82 |
| Relative PSA | 0.26135 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -8.1616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
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