(4-formylphenyl) (E)-2-phenylethenesulfonate
Formula:C15H12O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-formylphenyl) (E)-2-phenylethenesulfonate is a drug-like molecule.
| MolName | (4-formylphenyl) (E)-2-phenylethenesulfonate |
| MolecularFormula | C15H12O4S |
| Smiles | O=Cc(cc1)ccc1OS(/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H12O4S/c16-12-14-6-8-15(9-7-14)19-20(17,18)11-10-13-4-2-1-3-5-13/h1-12H |
| InChIK | UPTLIZVLJJLDOT-UHFFFAOYSA-N |
| TotalMolweight | 288.322 |
| Molweight | 288.322 |
| MonoisotopicMass | 288.04563 |
| CLogP | 2.9977 |
| CLogS | -4.144 |
| H Acceptors | 4 |
| TotalSurfaceArea | 217.64 |
| Relative PSA | 0.23718 |
| PolarSurfaceArea | 68.82 |
| Druglikeness | -8.7095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (4-formylphenyl) (E)-2-phenylethenesulfonate | 2 - (4-formylphenyl) (E)-2-phenylethenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off