P-868608792
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price  Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences. | Guaranteed purity (%) | Delivery time  Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified. | |
|---|---|---|---|---|
| 1 mg | 13 USD | 95 | 11 working days | Get Quote | 
| 5 mg | 13 USD | 95 | 11 working days | Get Quote | 
| 10 mg | 13 USD | 95 | 11 working days | Get Quote | 
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File | 
|---|---|
| SDF | P-868608792.sdf | 
| SMILES | P-868608792.smiles | 
| Standard InChI | P-868608792.inchi | 
| InChIKey | P-868608792.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-868608792 | 95 | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 132.202 | 
| logP | 2.5654 | 
| H-bond acceptors | 0 | 
| H-bond donors | 0 | 
| Rotatable bonds | 0 | 
| PSA | 0.0 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 43.874 | 
| Atoms | 22 | 
| Rings | 2 | 
| Heavy atoms | 10 | 
| Hydrogen atoms | 12 | 
| Heteroatoms | 0 | 
| N/O atoms | 0 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 0 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 0 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

