(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Formula:C10H7N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C10H7N2O3Br |
| Smiles | Oc(cc1)c(/C=C(\C(N2)=O)/NC2=O)cc1Br |
| InChI | InChI=1S/C10H7BrN2O3/c11-6-1-2-8(14)5(3-6)4-7-9(15)13-10(16)12-7/h1-4,14H,(H2,12,13,15,16) |
| InChIK | ONMVOZLGRZYZPP-UHFFFAOYSA-N |
| TotalMolweight | 283.081 |
| Molweight | 283.081 |
| MonoisotopicMass | 281.964004 |
| CLogP | 1.2478 |
| CLogS | -3.274 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 167.87 |
| Relative PSA | 0.36993 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 1.3533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
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