[(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
Formula:C7H9N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]urea |
| MolecularFormula | C7H9N5O3 |
| Smiles | NC(N/N=C\CN(C=CC(N1)=O)C1=O)=O |
| InChI | InChI=1S/C7H9N5O3/c8-6(14)11-9-2-4-12-3-1-5(13)10-7(12)15/h1-3H,4H2,(H3,8,11,14)(H,10,13,15) |
| InChIK | OAZALRMIEIIPFH-UHFFFAOYSA-N |
| TotalMolweight | 211.18 |
| Molweight | 211.18 |
| MonoisotopicMass | 211.07054 |
| CLogP | -1.9786 |
| CLogS | -1.772 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 160.01 |
| Relative PSA | 0.57728 |
| PolarSurfaceArea | 116.89 |
| Druglikeness | 4.2394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 1 |
| Amides | 3 |
| StereoCon |
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1 - [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]urea | 2 - [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
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