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UNKNOWN STEREO
MCULE-1657369664-2
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.
|
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 | 112 USD | 95 | 11 working days | Get Quote |
| 5 mg | 375 USD | 95 | 11 working days | Get Quote |
| 10 mg | 563 USD | 95 | 11 working days | Get Quote |
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MCULE-4289520632-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1657369664-2.sdf |
| SMILES | MCULE-1657369664-2.smiles |
| Standard InChI | MCULE-1657369664-2.inchi |
| InChIKey | MCULE-1657369664-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888664232 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869173255 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1302.438 |
| logP | 8.9068 |
| H-bond acceptors | 31 |
| H-bond donors | 22 |
| Rotatable bonds | 39 |
| PSA | 569.72 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 367.5684 |
| Atoms | 177 |
| Rings | 5 |
| Heavy atoms | 94 |
| Hydrogen atoms | 83 |
| Heteroatoms | 31 |
| N/O atoms | 31 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 13 |
| Cis/trans stereo double bonds | 9 |
| Unknown stereo double bonds | 4 |
| Undefined stereo double bonds | 0 |
