6-[(Z)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C19H14N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(Z)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(Z)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H14N3O5Br |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C\c(cc2)cc(Br)c2OCc2ccccc2)NC1=O)=O |
| InChI | InChI=1S/C19H14BrN3O5/c20-14-10-12(7-9-16(14)28-11-13-4-2-1-3-5-13)6-8-15-17(23(26)27)18(24)22-19(25)21-15/h1-10H,11H2,(H2,21,22,24,25) |
| InChIK | PGHZLOLSSYIAHA-UHFFFAOYSA-N |
| TotalMolweight | 444.24 |
| Molweight | 444.24 |
| MonoisotopicMass | 443.011683 |
| CLogP | 2.3693 |
| CLogS | -5.581 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 293.42 |
| Relative PSA | 0.30475 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -4.796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(Z)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(Z)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
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