5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C14H8N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | 5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C14H8N2O6 |
| Smiles | Oc(cc1)cc(OC=C2C=C(C(NC(N3)=O)=O)C3=O)c1C2=O |
| InChI | InChI=1S/C14H8N2O6/c17-7-1-2-8-10(4-7)22-5-6(11(8)18)3-9-12(19)15-14(21)16-13(9)20/h1-5,17H,(H2,15,16,19,20,21) |
| InChIK | GGKOKPAYLJIPLG-UHFFFAOYSA-N |
| TotalMolweight | 300.226 |
| Molweight | 300.226 |
| MonoisotopicMass | 300.038238 |
| CLogP | -0.1827 |
| CLogS | -2.678 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 205.95 |
| Relative PSA | 0.47672 |
| PolarSurfaceArea | 121.8 |
| Druglikeness | 4.0246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - 5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
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