1-(4-chlorophenyl)sulfonyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole
Formula:C15H11N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole |
| MolecularFormula | C15H11N2O2ClS2 |
| Smiles | O=S(c(cc1)ccc1Cl)(n1nccc1/C=C/c1cccs1)=O |
| InChI | InChI=1S/C15H11ClN2O2S2/c16-12-3-7-15(8-4-12)22(19,20)18-13(9-10-17-18)5-6-14-2-1-11-21-14/h1-11H |
| InChIK | WFZZTWKHGDXGTM-UHFFFAOYSA-N |
| TotalMolweight | 350.849 |
| Molweight | 350.849 |
| MonoisotopicMass | 349.995045 |
| CLogP | 2.9938 |
| CLogS | -4.143 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.18 |
| Relative PSA | 0.27017 |
| PolarSurfaceArea | 88.58 |
| Druglikeness | 6.2983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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