6-[(E)-2-(furan-2-yl)ethenyl]-5-nitro-1H-pyrimidin-2-one
Formula:C10H7N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-(furan-2-yl)ethenyl]-5-nitro-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(E)-2-(furan-2-yl)ethenyl]-5-nitro-1H-pyrimidin-2-one |
| MolecularFormula | C10H7N3O4 |
| Smiles | [O-][N+](C(C=N1)=C(/C=C/c2ccco2)NC1=O)=O |
| InChI | InChI=1S/C10H7N3O4/c14-10-11-6-9(13(15)16)8(12-10)4-3-7-2-1-5-17-7/h1-6H,(H,11,12,14) |
| InChIK | DWDALZDCUANPJZ-UHFFFAOYSA-N |
| TotalMolweight | 233.183 |
| Molweight | 233.183 |
| MonoisotopicMass | 233.043657 |
| CLogP | 0.1079 |
| CLogS | -3.385 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 176.51 |
| Relative PSA | 0.45629 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -3.3409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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