[(E)-[amino-(4-bromophenyl)methylidene]amino] morpholine-4-carboxylate
Formula:C12H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C12H14N3O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C12H14BrN3O3/c13-10-3-1-9(2-4-10)11(14)15-19-12(17)16-5-7-18-8-6-16/h1-4H,5-8H2,(H2,14,15) |
| InChIK | CCXSXGXXIGHRHJ-UHFFFAOYSA-N |
| TotalMolweight | 328.165 |
| Molweight | 328.165 |
| MonoisotopicMass | 327.021853 |
| CLogP | 2.318 |
| CLogS | -3.084 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 212.97 |
| Relative PSA | 0.29755 |
| PolarSurfaceArea | 77.15 |
| Druglikeness | -4.7972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] morpholine-4-carboxylate
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