(5E)-5-(4-hydroxybutylidene)imidazolidine-2,4-dione
Formula:C7H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(4-hydroxybutylidene)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-(4-hydroxybutylidene)imidazolidine-2,4-dione |
| MolecularFormula | C7H10N2O3 |
| Smiles | OCCC/C=C(\C(N1)=O)/NC1=O |
| InChI | InChI=1S/C7H10N2O3/c10-4-2-1-3-5-6(11)9-7(12)8-5/h3,10H,1-2,4H2,(H2,8,9,11,12) |
| InChIK | BYLSYHLFNZKGQV-UHFFFAOYSA-N |
| TotalMolweight | 170.167 |
| Molweight | 170.167 |
| MonoisotopicMass | 170.069143 |
| CLogP | -0.266 |
| CLogS | -1.541 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 130.76 |
| Relative PSA | 0.47492 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | -3.5036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-5-(4-hydroxybutylidene)imidazolidine-2,4-dione | 2 - (5E)-5-(4-hydroxybutylidene)imidazolidine-2,4-dione
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