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UNKNOWN STEREO
MCULE-3287601854-0
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 | 109 USD | 99 | 19 working days | Get Quote |
| 5 mg | 109 USD | 99 | 19 working days | Get Quote |
| 10 mg | 109 USD | 99 | 19 working days | Get Quote |
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MCULE-9384864835-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3287601854-0.sdf |
| SMILES | MCULE-3287601854-0.smiles |
| Standard InChI | MCULE-3287601854-0.inchi |
| InChIKey | MCULE-3287601854-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892882015 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890183406 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-889849781 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-616209772 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-896047366 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 456.559 |
| logP | 4.5258 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 13 |
| PSA | 166.06 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 117.9836 |
| Atoms | 63 |
| Rings | 1 |
| Heavy atoms | 31 |
| Hydrogen atoms | 32 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
