7-hydroxy-8-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one
Formula:C16H10O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-hydroxy-8-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-8-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one |
| MolecularFormula | C16H10O4S |
| Smiles | Oc1ccc(C=CC(O2)=O)c2c1C(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C16H10O4S/c17-12-6-3-10-4-8-14(19)20-16(10)15(12)13(18)7-5-11-2-1-9-21-11/h1-9,17H |
| InChIK | YIEQCEHJISSTDA-UHFFFAOYSA-N |
| TotalMolweight | 298.317 |
| Molweight | 298.317 |
| MonoisotopicMass | 298.02998 |
| CLogP | 2.6625 |
| CLogS | -4.308 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.31 |
| Relative PSA | 0.31565 |
| PolarSurfaceArea | 91.84 |
| Druglikeness | -0.099334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52381 |
| 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 |
Click to Load Molecule:
1 - 7-hydroxy-8-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one | 2 - 7-hydroxy-8-[(E)-3-thiophen-2-ylprop-2-enoyl]chromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off