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UNKNOWN STEREO
MCULE-2216168794
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 | 30 USD | 95 | 12 working days | Get Quote |
| 5 mg | 41 USD | 98 | 22 working days | Get Quote |
| 10 mg | 68 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2216168794.sdf |
| SMILES | MCULE-2216168794.smiles |
| Standard InChI | MCULE-2216168794.inchi |
| InChIKey | MCULE-2216168794.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867646304 | 98 | As is | in stock |
| P-875813257 | 98 | As is | in stock |
| P-1275162336 | 98 | As is | in stock |
| P-1270314800 | 98 | As is | in stock |
| P-888934135 | N/A | As is | in stock |
| P-868831343 | 98 | As is | 250 mg |
| P-889778265 | 95 | As is | in stock |
| P-901414802 | 95 | As is | in stock |
| P-580451350 | 98 | As is | in stock |
| P-904256330 | 95 | As is | in stock |
| P-892288463 | 95 | As is | unavailable |
| P-869116971 | 95 | As is | 433 mg |
| P-888632370 | 95 | As is | 428 mg |
| P-611525156 | 90 | As is | in stock |
| P-1271283897 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 301.507 |
| logP | 4.8485 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 16 |
| PSA | 66.48 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 93.671 |
| Atoms | 60 |
| Rings | 0 |
| Heavy atoms | 21 |
| Hydrogen atoms | 39 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
