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UNKNOWN STEREO
MCULE-3293442121
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.
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|---|---|---|---|---|
| 1 mg | 213 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3293442121.sdf |
| SMILES | MCULE-3293442121.smiles |
| Standard InChI | MCULE-3293442121.inchi |
| InChIKey | MCULE-3293442121.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867681506 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875859323 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869276532 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888655054 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869159516 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 422.520 |
| logP | 5.6153 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 51.02 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 130.771 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 26 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
