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UNKNOWN STEREO
P-869119171
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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 | 144 USD | 95 | 12 working days | Get Quote |
| 5 mg | 380 USD | 95 | 12 working days | Get Quote |
| 10 mg | 540 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | P-869119171.sdf |
| SMILES | P-869119171.smiles |
| Standard InChI | P-869119171.inchi |
| InChIKey | P-869119171.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869119171 | 95 | 1.972 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 2259.582 |
| logP | 4.5031 |
| H-bond acceptors | 53 |
| H-bond donors | 28 |
| Rotatable bonds | 86 |
| PSA | 881.57 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 585.5667 |
| Atoms | 315 |
| Rings | 6 |
| Heavy atoms | 160 |
| Hydrogen atoms | 155 |
| Heteroatoms | 54 |
| N/O atoms | 53 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 17 |
| R/S chiral centers | 17 |
| 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 |
