[(Z)-(4-bromophenyl)methylideneamino] 2-phenoxyacetate
Formula:C15H12NO3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-bromophenyl)methylideneamino] 2-phenoxyacetate is a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2-phenoxyacetate |
| MolecularFormula | C15H12NO3Br |
| Smiles | O=C(COc1ccccc1)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrNO3/c16-13-8-6-12(7-9-13)10-17-20-15(18)11-19-14-4-2-1-3-5-14/h1-10H,11H2 |
| InChIK | QOKATBGEQAVQBN-UHFFFAOYSA-N |
| TotalMolweight | 334.168 |
| Molweight | 334.168 |
| MonoisotopicMass | 333.000055 |
| CLogP | 4.2182 |
| CLogS | -4.385 |
| H Acceptors | 4 |
| TotalSurfaceArea | 227.92 |
| Relative PSA | 0.19546 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -5.0743 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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