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MCULE-5691478759-0
Structure
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- 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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5691478759-0.sdf |
| SMILES | MCULE-5691478759-0.smiles |
| Standard InChI | MCULE-5691478759-0.inchi |
| InChIKey | MCULE-5691478759-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1271246644 | N/A | As is | by synthesis |
| P-905448729 | 95 | As is | by synthesis |
| P-504796776 | 90 | As is | 1 mg |
| P-619859317 | 90 | As is | 24 mg |
| P-851206837 | 95 | As is | in stock |
| P-19999535 | 90 | As is | in stock |
| P-34769503 | 90 | As is | by synthesis |
| P-23819708 | 90 | As is | in stock |
| P-453974757 | 90 | As is | unavailable |
| P-22781015 | 90 | As is | in stock |
| P-888487234 | 94 | As is | by resynthesis (? - ? days) |
| P-1314645 | 90 | As is | 1.748 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.262 |
| logP | 1.3856 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.2345 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
