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UNKNOWN STEREO
MCULE-4811516962
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 | 212 USD | 98 | 19 working days | Get Quote |
| 5 mg | 212 USD | 98 | 19 working days | Get Quote |
| 10 mg | 212 USD | 98 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-7583535723
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4811516962.sdf |
| SMILES | MCULE-4811516962.smiles |
| Standard InChI | MCULE-4811516962.inchi |
| InChIKey | MCULE-4811516962.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588247076 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-868501244 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1014.094 |
| logP | 0.9049 |
| H-bond acceptors | 22 |
| H-bond donors | 8 |
| Rotatable bonds | 13 |
| PSA | 326.24 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 247.2029 |
| Atoms | 149 |
| Rings | 4 |
| Heavy atoms | 69 |
| Hydrogen atoms | 80 |
| Heteroatoms | 23 |
| N/O atoms | 22 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 21 |
| R/S chiral centers | 21 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
