(5E)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
Formula:C11H7N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C11H7N3O6 |
| Smiles | [O-][N+](c1c(/C=C(\C(N2)=O)/NC2=O)ccc2c1OCO2)=O |
| InChI | InChI=1S/C11H7N3O6/c15-10-6(12-11(16)13-10)3-5-1-2-7-9(20-4-19-7)8(5)14(17)18/h1-3H,4H2,(H2,12,13,15,16) |
| InChIK | JKFKDBFUMCWTLA-UHFFFAOYSA-N |
| TotalMolweight | 277.192 |
| Molweight | 277.192 |
| MonoisotopicMass | 277.033487 |
| CLogP | 0.0581 |
| CLogS | -3.907 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 186.82 |
| Relative PSA | 0.53217 |
| PolarSurfaceArea | 122.48 |
| Druglikeness | -1.9417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(4-nitro-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
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