(5Z)-1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Formula:C17H11N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.
| MolName | (5Z)-1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| MolecularFormula | C17H11N2O4F |
| Smiles | Oc1ccc(/C=C(/C(NC(N2c(cc3)ccc3F)=O)=O)\C2=O)cc1 |
| InChI | InChI=1S/C17H11FN2O4/c18-11-3-5-12(6-4-11)20-16(23)14(15(22)19-17(20)24)9-10-1-7-13(21)8-2-10/h1-9,21H,(H,19,22,24) |
| InChIK | XEDQILXXHYOZEF-UHFFFAOYSA-N |
| TotalMolweight | 326.282 |
| Molweight | 326.282 |
| MonoisotopicMass | 326.070286 |
| CLogP | 1.9105 |
| CLogS | -3.905 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 231.94 |
| Relative PSA | 0.28986 |
| PolarSurfaceArea | 86.71 |
| Druglikeness | 3.3699 |
| 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 | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
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