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UNKNOWN STEREO
MCULE-3226089160-3
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 | 1482 USD | 95 | 37 working days | Get Quote |
| 5 mg | 1482 USD | 95 | 37 working days | Get Quote |
| 10 mg | 1482 USD | 95 | 37 working days | Get Quote |
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MCULE-1421201563-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3226089160-3.sdf |
| SMILES | MCULE-3226089160-3.smiles |
| Standard InChI | MCULE-3226089160-3.inchi |
| InChIKey | MCULE-3226089160-3.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869144008 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-888647924 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 147.196 |
| logP | -0.4892 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 90.96 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 39.4003 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
