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RELATIVE STEREO
MCULE-9615701123
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 | 40 USD | 95 | 27 working days | Get Quote |
| 5 mg | 40 USD | 95 | 27 working days | Get Quote |
| 10 mg | 40 USD | 95 | 27 working days | Get Quote |
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MCULE-2160798730
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9615701123.sdf |
| SMILES | MCULE-9615701123.smiles |
| Standard InChI | MCULE-9615701123.inchi |
| InChIKey | MCULE-9615701123.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1273368134 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1274862437 | 95 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 886.117 |
| logP | 5.9954 |
| H-bond acceptors | 14 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 161.86 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 236.7403 |
| Atoms | 138 |
| Rings | 7 |
| Heavy atoms | 63 |
| Hydrogen atoms | 75 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 20 |
| R/S chiral centers | 20 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
