| MolName | 6-[(Z)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H14N3O5F |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C\c(cccc2)c2OCc(cccc2)c2F)NC1=O)=O |
| InChI | InChI=1S/C19H14FN3O5/c20-14-7-3-1-6-13(14)11-28-16-8-4-2-5-12(16)9-10-15-17(23(26)27)18(24)22-19(25)21-15/h1-10H,11H2,(H2,21,22,24,25) |
| InChIK | GDQGEUVCDSEEQM-UHFFFAOYSA-N |
| TotalMolweight | 383.334 |
| Molweight | 383.334 |
| MonoisotopicMass | 383.09175 |
| CLogP | 1.7449 |
| CLogS | -5.061 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 281.14 |
| Relative PSA | 0.31806 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -4.346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(Z)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(Z)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione