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UNKNOWN STEREO
MCULE-5539115376-0
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 | 290 USD | 98 | 22 working days | Get Quote |
| 5 mg | 792 USD | 95 | 42 working days | Get Quote |
| 10 mg | 1462 USD | 98 | 22 working days | Get Quote |
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1
MCULE-6551511352-0
- Component type: Main
-
1
MCULE-9976402631-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5539115376-0.sdf |
| SMILES | MCULE-5539115376-0.smiles |
| Standard InChI | MCULE-5539115376-0.inchi |
| InChIKey | MCULE-5539115376-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904223366 | 95 | As is | unavailable |
| P-904239363 | 95 | As is | unavailable |
| P-1266014597 | 98 | Main component | in stock |
| P-901256215 | 98 | Main component | in stock |
| P-851442464 | N/A | Main component | by synthesis |
| P-1263780306 | 95 | Main component | by synthesis |
| P-901502811 | 95 | Main component | by synthesis |
| P-901542122 | 95 | Main component | by synthesis |
| P-611585404 | 90 | Main component | in stock |
| P-1271652812 | 98 | Main component | in stock |
| P-1263780308 | 95 | Main component as a main component | by synthesis |
| P-869129372 | 95 | Main component as a main component | unavailable |
| P-888641686 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 261.196 |
| logP | -1.118 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 2 |
| PSA | 110.02 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.7349 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
