6-[(E)-2-(5-benzyl-2-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Formula:C19H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-(5-benzyl-2-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(E)-2-(5-benzyl-2-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione |
| MolecularFormula | C19H15N3O5 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/c(cc(Cc2ccccc2)cc2)c2O)NC1=O)=O |
| InChI | InChI=1S/C19H15N3O5/c23-16-9-6-13(10-12-4-2-1-3-5-12)11-14(16)7-8-15-17(22(26)27)18(24)21-19(25)20-15/h1-9,11,23H,10H2,(H2,20,21,24,25) |
| InChIK | FYFNDZZYCBLZHT-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 1.7662 |
| CLogS | -4.821 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 271.14 |
| Relative PSA | 0.34123 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | -2.8999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(E)-2-(5-benzyl-2-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione | 2 - 6-[(E)-2-(5-benzyl-2-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off