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UNKNOWN STEREO
MCULE-2053937515
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 | 29 USD | 98 | 19 working days | Get Quote |
| 5 mg | 29 USD | 98 | 19 working days | Get Quote |
| 10 mg | 29 USD | 98 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2053937515.sdf |
| SMILES | MCULE-2053937515.smiles |
| Standard InChI | MCULE-2053937515.inchi |
| InChIKey | MCULE-2053937515.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275163067 | 98 | As is | in stock |
| P-896023727 | 95 | As is | in stock |
| P-488543853 | 90 | As is | in stock |
| P-524444475 | 95 | As is | 2.017 g |
| P-454363753 | 92 | As is | in stock |
| P-2376647 | 90 | As is | 1.554 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 645.604 |
| logP | -8.1736 |
| H-bond acceptors | 19 |
| H-bond donors | 14 |
| Rotatable bonds | 9 |
| PSA | 321.17 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 136.6891 |
| Atoms | 87 |
| Rings | 4 |
| Heavy atoms | 44 |
| Hydrogen atoms | 43 |
| Heteroatoms | 19 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 19 |
| R/S chiral centers | 18 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
