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UNKNOWN STEREO
MCULE-6079826622
Compound
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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 | 93 USD | 98 | 22 working days | Get Quote |
| 5 mg | 93 USD | 98 | 22 working days | Get Quote |
| 10 mg | 164 USD | 98 | 22 working days | Get Quote |
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1
MCULE-3768426914
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6079826622.sdf |
| SMILES | MCULE-6079826622.smiles |
| Standard InChI | MCULE-6079826622.inchi |
| InChIKey | MCULE-6079826622.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867596798 | 98 | Main component | in stock |
| P-875756019 | 98 | Main component | in stock |
| P-612935352 | 95 | Main component | by resynthesis (? - ? days) |
| P-864147591 | 97 | Main component | in stock |
| P-901506321 | 95 | Main component | by synthesis |
| P-579708386 | N/A | Main component | in stock |
| P-869159380 | 95 | Main component | unavailable |
| P-888654950 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 560.119 |
| logP | 7.062 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 13 |
| PSA | 48.95 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 164.0397 |
| Atoms | 78 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 38 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
