2-(difluoromethylsulfanyl)-4-[(E)-2-phenylethenyl]pyrimidine
Formula:C13H10N2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(difluoromethylsulfanyl)-4-[(E)-2-phenylethenyl]pyrimidine is a drug-like molecule.
| MolName | 2-(difluoromethylsulfanyl)-4-[(E)-2-phenylethenyl]pyrimidine |
| MolecularFormula | C13H10N2F2S |
| Smiles | FC(F)Sc1nc(/C=C/c2ccccc2)ccn1 |
| InChI | InChI=1S/C13H10F2N2S/c14-12(15)18-13-16-9-8-11(17-13)7-6-10-4-2-1-3-5-10/h1-9,12H |
| InChIK | XHMUUEVENIXHEJ-UHFFFAOYSA-N |
| TotalMolweight | 264.298 |
| Molweight | 264.298 |
| MonoisotopicMass | 264.053274 |
| CLogP | 4.4944 |
| CLogS | -4.01 |
| H Acceptors | 2 |
| TotalSurfaceArea | 199.73 |
| Relative PSA | 0.19742 |
| PolarSurfaceArea | 51.08 |
| Druglikeness | -3.7975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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