(NZ)-N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
Formula:C14H11N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C14H11N2O4Br |
| Smiles | [O-][N+](c1cccc(COc(cc2)c(/C=N\O)cc2Br)c1)=O |
| InChI | InChI=1S/C14H11BrN2O4/c15-12-4-5-14(11(7-12)8-16-18)21-9-10-2-1-3-13(6-10)17(19)20/h1-8,18H,9H2 |
| InChIK | GWFMUFPKGGZVKN-UHFFFAOYSA-N |
| TotalMolweight | 351.155 |
| Molweight | 351.155 |
| MonoisotopicMass | 349.990219 |
| CLogP | 3.366 |
| CLogS | -4.95 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 230.19 |
| Relative PSA | 0.28251 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -8.1616 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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