[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] (E)-2-phenylethenesulfonate
Formula:C23H17N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] (E)-2-phenylethenesulfonate is a drug-like molecule.
| MolName | [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] (E)-2-phenylethenesulfonate |
| MolecularFormula | C23H17N2O3ClS |
| Smiles | O=S(/C=C/c1ccccc1)(Oc1cc(-c2ccccc2)nn1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H17ClN2O3S/c24-20-11-13-21(14-12-20)26-23(17-22(25-26)19-9-5-2-6-10-19)29-30(27,28)16-15-18-7-3-1-4-8-18/h1-17H |
| InChIK | IWQQLRIAVLGADY-UHFFFAOYSA-N |
| TotalMolweight | 436.918 |
| Molweight | 436.918 |
| MonoisotopicMass | 436.06484 |
| CLogP | 4.9408 |
| CLogS | -6.594 |
| H Acceptors | 5 |
| TotalSurfaceArea | 321 |
| Relative PSA | 0.17576 |
| PolarSurfaceArea | 69.57 |
| Druglikeness | 1.99 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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