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MCULE-4939643359-2
Structure
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- InChIKey:
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| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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 | 110 USD | 90 | 20 working days | Get Quote |
| 5 mg | 110 USD | 90 | 20 working days | Get Quote |
| 10 mg | 110 USD | 90 | 20 working days | Get Quote |
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MCULE-6551266651-2
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4939643359-2.sdf |
| SMILES | MCULE-4939643359-2.smiles |
| Standard InChI | MCULE-4939643359-2.inchi |
| InChIKey | MCULE-4939643359-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-31174828 | LaboTest | Screening Collection | 90 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.235 |
| logP | -0.8223 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 109.39 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.9052 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
