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UNKNOWN STEREO
MCULE-5129839659-0
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 | 29 USD | 95 | 12 working days | Get Quote |
| 5 mg | 29 USD | 95 | 12 working days | Get Quote |
| 10 mg | 29 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5129839659-0.sdf |
| SMILES | MCULE-5129839659-0.smiles |
| Standard InChI | MCULE-5129839659-0.inchi |
| InChIKey | MCULE-5129839659-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693784 | 98 | As is | in stock |
| P-875874258 | 98 | As is | in stock |
| P-874644553 | N/A | As is | by resynthesis (? - ? days) |
| P-881626963 | N/A | As is | by synthesis |
| P-895110770 | 98 | As is | 150 mg |
| P-1275490066 | 95 | As is | in stock |
| P-901566313 | 95 | As is | by synthesis |
| P-861286538 | 98 | As is | in stock |
| P-892289118 | 95 | As is | unavailable |
| P-869119275 | 95 | As is | 1000 mg |
| P-888634208 | 95 | As is | 1000 mg |
| P-611509361 | 90 | As is | in stock |
| P-1271710517 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.305 |
| logP | 2.3654 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 32.67 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 76.705 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
