5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
Formula:C9H8N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is a drug-like molecule.
| MolName | 5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole |
| MolecularFormula | C9H8N2S |
| Smiles | C(c1ccn[nH]1)=C/c1cccs1 |
| InChI | InChI=1S/C9H8N2S/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11) |
| InChIK | FOHWAQGURRYJFK-UHFFFAOYSA-N |
| TotalMolweight | 176.243 |
| Molweight | 176.243 |
| MonoisotopicMass | 176.040818 |
| CLogP | 1.6808 |
| CLogS | -2.359 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 143.79 |
| Relative PSA | 0.31518 |
| PolarSurfaceArea | 56.92 |
| Druglikeness | 4.4865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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