P-864139839
- 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 | 162 USD | 95 | 14 working days | Get Quote | 
| 5 mg | 162 USD | 95 | 14 working days | Get Quote | 
| 10 mg | 162 USD | 95 | 14 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-864139839.sdf | 
| SMILES | P-864139839.smiles | 
| Standard InChI | P-864139839.inchi | 
| InChIKey | P-864139839.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-864139839 | 95 | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 207.268 | 
| logP | 2.4571 | 
| H-bond acceptors | 3 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 30.49 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 63.4157 | 
| Atoms | 32 | 
| Rings | 2 | 
| Heavy atoms | 15 | 
| Hydrogen atoms | 17 | 
| Heteroatoms | 3 | 
| N/O atoms | 3 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 1 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 1 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

