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P-888621714
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- InChIKey:
- SMILES:
- InChI:
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| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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.
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|---|---|---|---|---|
| 1 mg | 227 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | P-888621714.sdf |
| SMILES | P-888621714.smiles |
| Standard InChI | P-888621714.inchi |
| InChIKey | P-888621714.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888621714 | Key Organics | Building Blocks | 95 | 1 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 4177.773 |
| logP | 6.4349 |
| H-bond acceptors | 108 |
| H-bond donors | 61 |
| Rotatable bonds | 179 |
| PSA | 1840.55 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 1055.9973 |
| Atoms | 588 |
| Rings | 6 |
| Heavy atoms | 293 |
| Hydrogen atoms | 295 |
| Heteroatoms | 110 |
| N/O atoms | 108 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 34 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 34 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
