N-[(Z)-benzylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
Formula:C12H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide |
| MolecularFormula | C12H10N4O3 |
| Smiles | O=C(C(NC(N1)=O)=CC1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C12H10N4O3/c17-10-6-9(14-12(19)15-10)11(18)16-13-7-8-4-2-1-3-5-8/h1-7H,(H,16,18)(H2,14,15,17,19) |
| InChIK | QKSYDSLBOVAOQM-UHFFFAOYSA-N |
| TotalMolweight | 258.236 |
| Molweight | 258.236 |
| MonoisotopicMass | 258.075291 |
| CLogP | 0.4085 |
| CLogS | -3.075 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 196.86 |
| Relative PSA | 0.43183 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 4.8951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide | 2 - N-[(Z)-benzylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
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