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UNKNOWN STEREO
MCULE-6890978209
Compound
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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 | 163 USD | N/A | 9 working days | Get Quote |
| 5 mg | 163 USD | N/A | 9 working days | Get Quote |
| 10 mg | 310 USD | N/A | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6890978209.sdf |
| SMILES | MCULE-6890978209.smiles |
| Standard InChI | MCULE-6890978209.inchi |
| InChIKey | MCULE-6890978209.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867694144 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875873654 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874606114 | AK Scientific | Building Blocks | N/A | As is | in stock |
| P-895110593 | Angene | Building Blocks in stock | N/A | As is | 50 mg |
| P-889796219 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-869108949 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888627740 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 459.446 |
| logP | 5.1326 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 80.24 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.4047 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
