4-[(E)-2-thiophen-2-ylethenyl]pyrimidine-2-thiolate
Formula:C10H7N2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-thiophen-2-ylethenyl]pyrimidine-2-thiolate is a drug-like molecule.
| MolName | 4-[(E)-2-thiophen-2-ylethenyl]pyrimidine-2-thiolate |
| MolecularFormula | C10H7N2S2 |
| Smiles | [S-]c1nccc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C10H8N2S2/c13-10-11-6-5-8(12-10)3-4-9-2-1-7-14-9/h1-7H,(H,11,12,13)/p-1 |
| InChIK | OZSGRXMKFUYAAT-UHFFFAOYSA-M |
| TotalMolweight | 219.312 |
| Molweight | 219.312 |
| MonoisotopicMass | 219.005063 |
| CLogP | 2.4686 |
| CLogS | -3.657 |
| H Acceptors | 2 |
| TotalSurfaceArea | 146.23 |
| Relative PSA | 0.28927 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | 1.515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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