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UNKNOWN STEREO
MCULE-4242880069-1
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 | 65 USD | 95 | 22 working days | Get Quote |
| 5 mg | 156 USD | 95 | 22 working days | Get Quote |
| 10 mg | 232 USD | 95 | 22 working days | Get Quote |
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1
MCULE-5257627635-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4242880069-1.sdf |
| SMILES | MCULE-4242880069-1.smiles |
| Standard InChI | MCULE-4242880069-1.inchi |
| InChIKey | MCULE-4242880069-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892889419 | 95 | As is | in stock |
| P-901312678 | N/A | As is | in stock |
| P-895112314 | N/A | As is | 100 mg |
| P-892298818 | 95 | As is | unavailable |
| P-588246157 | 95 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1706.896 |
| logP | 3.2114 |
| H-bond acceptors | 42 |
| H-bond donors | 24 |
| Rotatable bonds | 64 |
| PSA | 680.28 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 443.6996 |
| Atoms | 237 |
| Rings | 6 |
| Heavy atoms | 122 |
| Hydrogen atoms | 115 |
| Heteroatoms | 42 |
| N/O atoms | 42 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
