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MCULE-1564890675-0
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 | 120 USD | N/A | 10 working days | Get Quote |
| 5 mg | 120 USD | N/A | 10 working days | Get Quote |
| 10 mg | 120 USD | N/A | 10 working days | Get Quote |
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1
MCULE-1201063323-0
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1564890675-0.sdf |
| SMILES | MCULE-1564890675-0.smiles |
| Standard InChI | MCULE-1564890675-0.inchi |
| InChIKey | MCULE-1564890675-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867560099 | A2B Chem | Predominantly Building Block in stock | 83 | As is | in stock |
| P-875720085 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-888814724 | Angene | Building Blocks in stock | 85 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 722.692 |
| logP | 2.0307 |
| H-bond acceptors | 15 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 250.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 170.7579 |
| Atoms | 85 |
| Rings | 4 |
| Heavy atoms | 50 |
| Hydrogen atoms | 35 |
| Heteroatoms | 17 |
| N/O atoms | 15 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
