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MCULE-5977139631-0
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 | 94 USD | 97 | 8 working days | Get Quote |
| 5 mg | 94 USD | 97 | 8 working days | Get Quote |
| 10 mg | 94 USD | 97 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5977139631-0.sdf |
| SMILES | MCULE-5977139631-0.smiles |
| Standard InChI | MCULE-5977139631-0.inchi |
| InChIKey | MCULE-5977139631-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266097818 | 97 | As is | in stock |
| P-890156571 | 97 | As is | in stock |
| P-903143300 | 97 | As is | 5 g |
| P-1270299689 | 97 | As is | in stock |
| P-886884112 | N/A | As is | in stock |
| P-489239006 | 97 | As is | in stock |
| P-892190181 | 97 | As is | 5 g |
| P-1273371614 | 95 | As is | by resynthesis (? - ? days) |
| P-889782968 | 95 | As is | in stock |
| P-890237451 | 97 | As is | 1.1 g |
| P-893629223 | 95 | As is | by synthesis |
| P-854695319 | 95 | As is | by synthesis |
| P-869115663 | 95 | As is | unavailable |
| P-888631470 | 95 | As is | unavailable |
| P-1271693131 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 306.317 |
| logP | 1.9109 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 125.74 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 80.9316 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
