3-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one
Formula:C16H10O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one |
| MolecularFormula | C16H10O3S |
| Smiles | O=C(/C=C/c1cccs1)C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C16H10O3S/c17-14(8-7-12-5-3-9-20-12)13-10-11-4-1-2-6-15(11)19-16(13)18/h1-10H |
| InChIK | VQVMLZLOGBLZDV-UHFFFAOYSA-N |
| TotalMolweight | 282.318 |
| Molweight | 282.318 |
| MonoisotopicMass | 282.035065 |
| CLogP | 2.9786 |
| CLogS | -3.966 |
| H Acceptors | 3 |
| TotalSurfaceArea | 212.17 |
| Relative PSA | 0.26601 |
| PolarSurfaceArea | 71.61 |
| Druglikeness | 0.47167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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