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UNKNOWN STEREO
MCULE-4352222329
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.
|
|
|---|---|---|---|---|
| 1 mg | 101 USD | N/A | 14 working days | Get Quote |
| 5 mg | 340 USD | N/A | 14 working days | Get Quote |
| 10 mg | 763 USD | N/A | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-8426560329
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4352222329.sdf |
| SMILES | MCULE-4352222329.smiles |
| Standard InChI | MCULE-4352222329.inchi |
| InChIKey | MCULE-4352222329.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892853941 | 98 | As a main component | in stock |
| P-890142794 | N/A | As a main component | in stock |
| P-869223409 | 95 | As a main component | in stock |
| P-901181136 | N/A | As a main component | in stock |
| P-905469972 | 95 | As a main component | in stock |
| P-893240400 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 611.524 |
| logP | -2.1449 |
| H-bond acceptors | 16 |
| H-bond donors | 11 |
| Rotatable bonds | 7 |
| PSA | 272.59 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 140.4164 |
| Atoms | 74 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 31 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
