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UNKNOWN STEREO
MCULE-5063918795
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 | 181 USD | 95 | 42 working days | Get Quote |
| 5 mg | 497 USD | 98 | 22 working days | Get Quote |
| 10 mg | 754 USD | 98 | 22 working days | Get Quote |
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MCULE-9394830637
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5063918795.sdf |
| SMILES | MCULE-5063918795.smiles |
| Standard InChI | MCULE-5063918795.inchi |
| InChIKey | MCULE-5063918795.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886756875 | 98 | As is | in stock |
| P-901303554 | 98 | As is | in stock |
| P-874642035 | N/A | As is | by resynthesis (? - ? days) |
| P-895109755 | N/A | As is | 10 mg |
| P-889522192 | 95 | As is | by synthesis |
| P-869118621 | 95 | As is | unavailable |
| P-888633672 | 95 | As is | unavailable |
| P-1271621791 | 99 | As is | in stock |
| P-904223299 | 95 | As a main component | unavailable |
| P-904239337 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 451.539 |
| logP | 3.3566 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 99.41 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 133.9198 |
| Atoms | 63 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 30 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
