6-[(E)-2-[4-[(4-hydroxyphenyl)iminomethyl]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C19H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-[4-[(4-hydroxyphenyl)iminomethyl]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(E)-2-[4-[(4-hydroxyphenyl)iminomethyl]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H14N4O5 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(/C=N/c(cc3)ccc3O)cc2)NC1=O)=O |
| InChI | InChI=1S/C19H14N4O5/c24-15-8-6-14(7-9-15)20-11-13-3-1-12(2-4-13)5-10-16-17(23(27)28)18(25)22-19(26)21-16/h1-11,24H,(H2,21,22,25,26) |
| InChIK | HUOFXZKENOFOSO-UHFFFAOYSA-N |
| TotalMolweight | 378.343 |
| Molweight | 378.343 |
| MonoisotopicMass | 378.096421 |
| CLogP | 1.3241 |
| CLogS | -4.652 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 282.14 |
| Relative PSA | 0.36872 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | -2.3615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(E)-2-[4-[(4-hydroxyphenyl)iminomethyl]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(E)-2-[4-[(4-hydroxyphenyl)iminomethyl]phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
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