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UNKNOWN STEREO
MCULE-5291153045-0
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 | 28 USD | 98 | 22 working days | Get Quote |
| 5 mg | 47 USD | 98 | 22 working days | Get Quote |
| 10 mg | 81 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5291153045-0.sdf |
| SMILES | MCULE-5291153045-0.smiles |
| Standard InChI | MCULE-5291153045-0.inchi |
| InChIKey | MCULE-5291153045-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867609446 | 98 | As is | in stock |
| P-875768649 | 98 | As is | in stock |
| P-590362204 | 98 | As is | by resynthesis (? - ? days) |
| P-1270375864 | 98 | As is | in stock |
| P-606932361 | N/A | As is | in stock |
| P-596962024 | 98 | As is | 1000 mg |
| P-901460870 | 95 | As is | by synthesis |
| P-860799231 | 98 | As is | in stock |
| P-580296907 | 95 | As is | by resynthesis (? - ? days) |
| P-868079501 | 95 | As is | in stock |
| P-892297997 | 95 | As is | unavailable |
| P-525185540 | 95 | As is | 142 mg |
| P-888657907 | 95 | As is | 133 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 331.408 |
| logP | 0.9646 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 11 |
| PSA | 127.76 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 84.8554 |
| Atoms | 52 |
| Rings | 0 |
| Heavy atoms | 23 |
| Hydrogen atoms | 29 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
