3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1H-pyrazole
Formula:C10H7N2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1H-pyrazole is a drug-like molecule.
| MolName | 3-[(E)-2-thiophen-2-ylethenyl]-5-(trifluoromethyl)-1H-pyrazole |
| MolecularFormula | C10H7N2F3S |
| Smiles | FC(c1cc(/C=C/c2cccs2)n[nH]1)(F)F |
| InChI | InChI=1S/C10H7F3N2S/c11-10(12,13)9-6-7(14-15-9)3-4-8-2-1-5-16-8/h1-6H,(H,14,15) |
| InChIK | NHRDPFZSUDDIBD-UHFFFAOYSA-N |
| TotalMolweight | 244.24 |
| Molweight | 244.24 |
| MonoisotopicMass | 244.028202 |
| CLogP | 2.5831 |
| CLogS | -3.161 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 173.25 |
| Relative PSA | 0.26159 |
| PolarSurfaceArea | 56.92 |
| Druglikeness | -3.4255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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