(Z)-N-[(4-bromophenyl)methoxy]-1-(3-nitrophenyl)methanimine
Formula:C14H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(4-bromophenyl)methoxy]-1-(3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(4-bromophenyl)methoxy]-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C14H11N2O3Br |
| Smiles | [O-][N+](c1cccc(/C=N\OCc(cc2)ccc2Br)c1)=O |
| InChI | InChI=1S/C14H11BrN2O3/c15-13-6-4-11(5-7-13)10-20-16-9-12-2-1-3-14(8-12)17(18)19/h1-9H,10H2 |
| InChIK | ILIWSSBGVSYFAS-UHFFFAOYSA-N |
| TotalMolweight | 335.156 |
| Molweight | 335.156 |
| MonoisotopicMass | 333.995304 |
| CLogP | 3.6393 |
| CLogS | -4.936 |
| H Acceptors | 5 |
| TotalSurfaceArea | 223.84 |
| Relative PSA | 0.232 |
| PolarSurfaceArea | 67.41 |
| Druglikeness | -6.9388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-N-[(4-bromophenyl)methoxy]-1-(3-nitrophenyl)methanimine | 2 - (Z)-N-[(4-bromophenyl)methoxy]-1-(3-nitrophenyl)methanimine
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