2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetate
Formula:C9H7NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetate is a drug-like molecule.
| MolName | 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetate |
| MolecularFormula | C9H7NO3Br |
| Smiles | [O-]C(CO/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C9H8BrNO3/c10-8-4-2-1-3-7(8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13)/p-1 |
| InChIK | LTQZGBARTYTADJ-UHFFFAOYSA-M |
| TotalMolweight | 257.063 |
| Molweight | 257.063 |
| MonoisotopicMass | 255.96093 |
| CLogP | 0.1968 |
| CLogS | -2.928 |
| H Acceptors | 4 |
| TotalSurfaceArea | 165.69 |
| Relative PSA | 0.29471 |
| PolarSurfaceArea | 61.72 |
| Druglikeness | -1.1662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetate | 2 - 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetate
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