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MCULE-6961911556-0
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.
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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 | 9 USD | N/A | 20 working days | Get Quote |
| 5 mg | 9 USD | N/A | 20 working days | Get Quote |
| 10 mg | 9 USD | N/A | 20 working days | Get Quote |
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1
MCULE-9834081696-1
- Component type: Main
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2
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6961911556-0.sdf |
| SMILES | MCULE-6961911556-0.smiles |
| Standard InChI | MCULE-6961911556-0.inchi |
| InChIKey | MCULE-6961911556-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860607819 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889906768 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-873291068 | Angene | Building Blocks in stock | N/A | As is | 1000 g |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 666.495 |
| logP | -1.0612 |
| H-bond acceptors | 15 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 237.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 146.1261 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 47 |
| Hydrogen atoms | 24 |
| Heteroatoms | 17 |
| N/O atoms | 15 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
