4,6-bis[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
Formula:C20H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,6-bis[(E)-2-phenylethenyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4,6-bis[(E)-2-phenylethenyl]-1H-pyrimidin-2-one |
| MolecularFormula | C20H16N2O |
| Smiles | O=C1N=C(/C=C/c2ccccc2)C=C(/C=C/c2ccccc2)N1 |
| InChI | InChI=1S/C20H16N2O/c23-20-21-18(13-11-16-7-3-1-4-8-16)15-19(22-20)14-12-17-9-5-2-6-10-17/h1-15H,(H,21,22,23) |
| InChIK | DSXROUDEXNCKGZ-UHFFFAOYSA-N |
| TotalMolweight | 300.36 |
| Molweight | 300.36 |
| MonoisotopicMass | 300.126263 |
| CLogP | 4.1149 |
| CLogS | -5.099 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.41 |
| Relative PSA | 0.14438 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.7107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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