P-7682175
- 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 | 79 USD | 90 | 22 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-7682175.sdf | 
| SMILES | P-7682175.smiles | 
| Standard InChI | P-7682175.inchi | 
| InChIKey | P-7682175.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-7682175 | 90 | 1 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 323.902 | 
| logP | 3.1258 | 
| H-bond acceptors | 3 | 
| H-bond donors | 0 | 
| Rotatable bonds | 7 | 
| PSA | 9.72 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 99.784 | 
| Atoms | 52 | 
| Rings | 2 | 
| Heavy atoms | 22 | 
| Hydrogen atoms | 30 | 
| Heteroatoms | 4 | 
| N/O atoms | 3 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| 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 | 

