2-[4-bromo-2-[(Z)-hydroxyiminomethyl]phenoxy]acetate
Formula:C9H7NO4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-bromo-2-[(Z)-hydroxyiminomethyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-bromo-2-[(Z)-hydroxyiminomethyl]phenoxy]acetate |
| MolecularFormula | C9H7NO4Br |
| Smiles | [O-]C(COc(cc1)c(/C=N\O)cc1Br)=O |
| InChI | InChI=1S/C9H8BrNO4/c10-7-1-2-8(15-5-9(12)13)6(3-7)4-11-14/h1-4,14H,5H2,(H,12,13)/p-1 |
| InChIK | KQGJMMVLCDHRAB-UHFFFAOYSA-M |
| TotalMolweight | 273.062 |
| Molweight | 273.062 |
| MonoisotopicMass | 271.955845 |
| CLogP | -0.0765 |
| CLogS | -2.942 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 172.04 |
| Relative PSA | 0.35997 |
| PolarSurfaceArea | 81.95 |
| Druglikeness | -2.2283 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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