5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C11H7N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C11H7N2O4Br |
| Smiles | Oc(cc1)c(C=C(C(NC(N2)=O)=O)C2=O)cc1Br |
| InChI | InChI=1S/C11H7BrN2O4/c12-6-1-2-8(15)5(3-6)4-7-9(16)13-11(18)14-10(7)17/h1-4,15H,(H2,13,14,16,17,18) |
| InChIK | BVGKJEWTDAMYSN-UHFFFAOYSA-N |
| TotalMolweight | 311.091 |
| Molweight | 311.091 |
| MonoisotopicMass | 309.958919 |
| CLogP | 0.7868 |
| CLogS | -2.942 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 185.62 |
| Relative PSA | 0.40481 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 2.0534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
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