[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenoxyacetate
Formula:C15H13N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenoxyacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenoxyacetate |
| MolecularFormula | C15H13N2O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(COc1ccccc1)=O |
| InChI | InChI=1S/C15H13BrN2O3/c16-12-8-6-11(7-9-12)15(17)18-21-14(19)10-20-13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,18) |
| InChIK | GCNMYQYJFPILED-UHFFFAOYSA-N |
| TotalMolweight | 349.183 |
| Molweight | 349.183 |
| MonoisotopicMass | 348.010954 |
| CLogP | 3.3722 |
| CLogS | -4.15 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.65 |
| Relative PSA | 0.25493 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -4.4348 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenoxyacetate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenoxyacetate
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