(E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one
Formula:C10H8N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C10H8N2OS |
| Smiles | O=C(/C=C/c1cccs1)n1nccc1 |
| InChI | InChI=1S/C10H8N2OS/c13-10(12-7-2-6-11-12)5-4-9-3-1-8-14-9/h1-8H |
| InChIK | NKULEHAQFIEXHH-UHFFFAOYSA-N |
| TotalMolweight | 204.253 |
| Molweight | 204.253 |
| MonoisotopicMass | 204.035733 |
| CLogP | 1.3907 |
| CLogS | -2.353 |
| H Acceptors | 3 |
| TotalSurfaceArea | 161.17 |
| Relative PSA | 0.31793 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 4.1432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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