(E)-1,2-diphenylethenesulfonic acid
Formula:C14H12O3S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-1,2-diphenylethenesulfonic acid is a drug-like molecule.
| MolName | (E)-1,2-diphenylethenesulfonic acid |
| MolecularFormula | C14H12O3S |
| Smiles | OS(/C(/c1ccccc1)=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H12O3S/c15-18(16,17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,15,16,17) |
| InChIK | HBNWPGJWKUCGGD-UHFFFAOYSA-N |
| TotalMolweight | 260.312 |
| Molweight | 260.312 |
| MonoisotopicMass | 260.050715 |
| CLogP | 1.6157 |
| CLogS | -1.724 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 192.66 |
| Relative PSA | 0.21634 |
| PolarSurfaceArea | 62.75 |
| Druglikeness | -2.0958 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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