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MCULE-2117313846-2
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.
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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 | 104 USD | 95 | 34 working days | Get Quote |
| 5 mg | 104 USD | 95 | 34 working days | Get Quote |
| 10 mg | 104 USD | 95 | 34 working days | Get Quote |
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MCULE-4375798497-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2117313846-2.sdf |
| SMILES | MCULE-2117313846-2.smiles |
| Standard InChI | MCULE-2117313846-2.inchi |
| InChIKey | MCULE-2117313846-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-856970197 | 95 | As is | by synthesis |
| P-901362519 | 95 | As a main component | by synthesis |
| P-617651666 | 90 | As a main component | in stock |
| P-584604130 | 95 | As a main component | 16 g |
| P-617323421 | 90 | As a main component | in stock |
| P-861525929 | 95 | As a main component | by synthesis |
| P-852533485 | N/A | As a main component | in stock |
| P-873225502 | 90 | As a main component | in stock |
| P-888443413 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.233 |
| logP | 2.1884 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 100.28 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 58.2112 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| 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 |
