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UNKNOWN STEREO
P-889792116
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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 | 349 USD | 95 | 14 working days | Get Quote |
| 5 mg | 349 USD | 95 | 14 working days | Get Quote |
| 10 mg | 590 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | P-889792116.sdf |
| SMILES | P-889792116.smiles |
| Standard InChI | P-889792116.inchi |
| InChIKey | P-889792116.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-889792116 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3752.084 |
| logP | 1.0163 |
| H-bond acceptors | 99 |
| H-bond donors | 55 |
| Rotatable bonds | 158 |
| PSA | 1649.52 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 929.8526 |
| Atoms | 516 |
| Rings | 5 |
| Heavy atoms | 264 |
| Hydrogen atoms | 252 |
| Heteroatoms | 100 |
| N/O atoms | 99 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 38 |
| R/S chiral centers | 38 |
| 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 |
