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MCULE-1255027278-0
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 | 16 USD | 98 | 12 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 38 USD | 98 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1255027278-0.sdf |
| SMILES | MCULE-1255027278-0.smiles |
| Standard InChI | MCULE-1255027278-0.inchi |
| InChIKey | MCULE-1255027278-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875769057 | 98 | As is | in stock |
| P-580701275 | 98 | As is | 1.198 g |
| P-878235653 | 95 | As is | by synthesis |
| P-861371734 | 95 | As is | by synthesis |
| P-579481870 | 95 | As is | in stock |
| P-854712706 | 95 | As is | in stock |
| P-871065189 | 95 | As is | in stock |
| P-878640674 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 322.357 |
| logP | 3.14468 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 93.35 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 91.8517 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
