5-[(2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C11H8N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[(2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | 5-[(2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C11H8N2O4 |
| Smiles | Oc1c(C=C(C(NC(N2)=O)=O)C2=O)cccc1 |
| InChI | InChI=1S/C11H8N2O4/c14-8-4-2-1-3-6(8)5-7-9(15)12-11(17)13-10(7)16/h1-5,14H,(H2,12,13,15,16,17) |
| InChIK | HEVXCZUWVKUXIS-UHFFFAOYSA-N |
| TotalMolweight | 232.195 |
| Molweight | 232.195 |
| MonoisotopicMass | 232.048408 |
| CLogP | 0.0616 |
| CLogS | -2.108 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 166.99 |
| Relative PSA | 0.44997 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | 3.8434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - 5-[(2-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
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