(E)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
Formula:C22H16N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one |
| MolecularFormula | C22H16N2OS |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 |
| InChI | InChI=1S/C22H16N2OS/c25-20(17-8-3-1-4-9-17)14-13-18-16-24(19-10-5-2-6-11-19)23-22(18)21-12-7-15-26-21/h1-16H |
| InChIK | TVCQUJUCPJCZQI-UHFFFAOYSA-N |
| TotalMolweight | 356.448 |
| Molweight | 356.448 |
| MonoisotopicMass | 356.098333 |
| CLogP | 4.2463 |
| CLogS | -5.274 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.69 |
| Relative PSA | 0.18255 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 4.9868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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