2-[(E)-2-phenylethenyl]pyrimidine
Formula:C12H10N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]pyrimidine is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]pyrimidine |
| MolecularFormula | C12H10N2 |
| Smiles | C(c1ccccc1)=C/c1ncccn1 |
| InChI | InChI=1S/C12H10N2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-10H |
| InChIK | JVOZXKIBCDWEKA-UHFFFAOYSA-N |
| TotalMolweight | 182.225 |
| Molweight | 182.225 |
| MonoisotopicMass | 182.084398 |
| CLogP | 2.1929 |
| CLogS | -2.032 |
| H Acceptors | 2 |
| TotalSurfaceArea | 157.04 |
| Relative PSA | 0.13971 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]pyrimidine | 2 - 2-[(E)-2-phenylethenyl]pyrimidine
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