6-[(Z)-2-(3-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C12H8N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(Z)-2-(3-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(Z)-2-(3-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C12H8N3O4F |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C\c2cccc(F)c2)NC1=O)=O |
| InChI | InChI=1S/C12H8FN3O4/c13-8-3-1-2-7(6-8)4-5-9-10(16(19)20)11(17)15-12(18)14-9/h1-6H,(H2,14,15,17,18) |
| InChIK | AEWZUNRDZSLGDO-UHFFFAOYSA-N |
| TotalMolweight | 277.211 |
| Molweight | 277.211 |
| MonoisotopicMass | 277.049885 |
| CLogP | 0.3968 |
| CLogS | -3.72 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 197.62 |
| Relative PSA | 0.40188 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -4.2227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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