[(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
Formula:C7H8N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea is not a drug-like molecule.
| MolName | [(Z)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea |
| MolecularFormula | C7H8N6O5 |
| Smiles | NC(N/N=C\CN(C=C(C(N1)=O)[N+]([O-])=O)C1=O)=O |
| InChI | InChI=1S/C7H8N6O5/c8-6(15)11-9-1-2-12-3-4(13(17)18)5(14)10-7(12)16/h1,3H,2H2,(H3,8,11,15)(H,10,14,16) |
| InChIK | JQVWNPMCWBAFKT-UHFFFAOYSA-N |
| TotalMolweight | 256.178 |
| Molweight | 256.178 |
| MonoisotopicMass | 256.055619 |
| CLogP | -3.0835 |
| CLogS | -2.13 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 181.89 |
| Relative PSA | 0.67508 |
| PolarSurfaceArea | 162.71 |
| Druglikeness | 2.5368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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