(5Z)-1-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C17H12N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-1-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | (5Z)-1-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C17H12N2O5 |
| Smiles | Oc1ccc(/C=C(/C(NC(N2c(cc3)ccc3O)=O)=O)\C2=O)cc1 |
| InChI | InChI=1S/C17H12N2O5/c20-12-5-1-10(2-6-12)9-14-15(22)18-17(24)19(16(14)23)11-3-7-13(21)8-4-11/h1-9,20-21H,(H,18,22,24) |
| InChIK | DKUIVNPQFJRYJZ-UHFFFAOYSA-N |
| TotalMolweight | 324.291 |
| Molweight | 324.291 |
| MonoisotopicMass | 324.074623 |
| CLogP | 1.464 |
| CLogS | -3.295 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 231.94 |
| Relative PSA | 0.34634 |
| PolarSurfaceArea | 106.94 |
| Druglikeness | 4.7099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-1-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
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