6-hydroxy-5-[(E)-3-thiophen-3-ylprop-2-enoyl]chromen-2-one
Formula:C16H10O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-hydroxy-5-[(E)-3-thiophen-3-ylprop-2-enoyl]chromen-2-one is a drug-like molecule.
| MolName | 6-hydroxy-5-[(E)-3-thiophen-3-ylprop-2-enoyl]chromen-2-one |
| MolecularFormula | C16H10O4S |
| Smiles | Oc(cc1)c(C(/C=C/c2cscc2)=O)c(C=C2)c1OC2=O |
| InChI | InChI=1S/C16H10O4S/c17-12(3-1-10-7-8-21-9-10)16-11-2-6-15(19)20-14(11)5-4-13(16)18/h1-9,18H |
| InChIK | HFFTXUGSBIUZTL-UHFFFAOYSA-N |
| TotalMolweight | 298.317 |
| Molweight | 298.317 |
| MonoisotopicMass | 298.02998 |
| CLogP | 2.5803 |
| CLogS | -4.198 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.31 |
| Relative PSA | 0.31565 |
| PolarSurfaceArea | 91.84 |
| Druglikeness | -1.7161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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