2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide
Formula:C14H12N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide |
| MolecularFormula | C14H12N4O6 |
| Smiles | NC(COc1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cc1)=O |
| InChI | InChI=1S/C14H12N4O6/c15-11(19)7-24-9-4-1-8(2-5-9)3-6-10-12(18(22)23)13(20)17-14(21)16-10/h1-6H,7H2,(H2,15,19)(H2,16,17,20,21) |
| InChIK | ONQHBEDYQNLODX-UHFFFAOYSA-N |
| TotalMolweight | 332.271 |
| Molweight | 332.271 |
| MonoisotopicMass | 332.075686 |
| CLogP | -1.0418 |
| CLogS | -3.275 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 241.3 |
| Relative PSA | 0.4879 |
| PolarSurfaceArea | 156.34 |
| Druglikeness | -2.2834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide | 2 - 2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide
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