Showing Metabocard for cis-stilbene oxide (BASm0002326)
| Common Name | Cis-stilbene oxide |
|---|---|
| Description | Cis-stilbene oxide is part of the Bile secretion pathway. It is a substrate for: Epoxide hydrolase 1. |
| Structure | |
| Molecular Formula | C14H12O |
| Average Mass | 196.24450 |
| Monoisotopic Mass | 196.08882 |
| IUPAC Name | (2R,3S)-2,3-diphenyloxirane |
| Traditional Name | Cis-stilbene oxide |
| CAS Registry Number | Not Available |
| SMILES | c1ccc([C@H]2O[C@H]2c2ccccc2)cc1 |
| InChI Identifier | InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+ |
| InChI Key | ARCJQKUWGAZPFX-OKILXGFUSA-N |
| CHEBI ID | CHEBI:50004 |
| HMDB ID | HMDB0059631 |
| State | Solid |
| Water Solubility | 1.47e-02 g/l |
| logP | 3.62 |
| logS | -4.13 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -4.27 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 12.53 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 59.61 m³·mol⁻¹ |
| Polarizability | 21.09 |