6-[(E)-2-[3-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C19H14N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-[3-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H14N3O5F |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/c2cccc(OCc(cccc3)c3F)c2)NC1=O)=O |
| InChI | InChI=1S/C19H14FN3O5/c20-15-7-2-1-5-13(15)11-28-14-6-3-4-12(10-14)8-9-16-17(23(26)27)18(24)22-19(25)21-16/h1-10H,11H2,(H2,21,22,24,25) |
| InChIK | OSZQGWJFXHHKJN-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 | 0.53571 |
| 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-[(E)-2-[3-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(E)-2-[3-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
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