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UNKNOWN STEREO
MCULE-8580683893
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 33 USD | 98 | 22 working days | Get Quote |
| 10 mg | 51 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8580683893.sdf |
| SMILES | MCULE-8580683893.smiles |
| Standard InChI | MCULE-8580683893.inchi |
| InChIKey | MCULE-8580683893.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569312 | 98 | As is | in stock |
| P-875729902 | 98 | As is | in stock |
| P-590362523 | 98 | As is | by resynthesis (? - ? days) |
| P-505394043 | 98 | As is | by resynthesis (? - ? days) |
| P-1270296745 | 98 | As is | in stock |
| P-606915333 | N/A | As is | in stock |
| P-596949091 | 98 | As is | 1.25 g |
| P-864125651 | 95 | As is | in stock |
| P-901502869 | 95 | As is | by synthesis |
| P-860799605 | 98 | As is | in stock |
| P-868079595 | 95 | As is | in stock |
| P-892298364 | 95 | As is | unavailable |
| P-594275508 | 95 | As is | 134 mg |
| P-888658113 | 95 | As is | 107 mg |
| P-611463233 | 90 | As is | in stock |
| P-611414602 | 90 | As is | in stock |
| P-666984122 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 432.902 |
| logP | 4.0772 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 125.19 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 117.4075 |
| Atoms | 55 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 25 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
