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MCULE-9097679664-1
Structure
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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.
|
|
|---|---|---|---|---|
| 1 mg | 67 USD | N/A | 17 working days | Get Quote |
| 5 mg | 67 USD | N/A | 17 working days | Get Quote |
| 10 mg | 67 USD | N/A | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9097679664-1.sdf |
| SMILES | MCULE-9097679664-1.smiles |
| Standard InChI | MCULE-9097679664-1.inchi |
| InChIKey | MCULE-9097679664-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901250678 | N/A | As is | by synthesis |
| P-903461565 | 95 | As is | 49 g |
| P-904308355 | 90 | As is | by synthesis |
| P-851802920 | N/A | As is | by synthesis |
| P-895951295 | 95 | As is | by resynthesis (? - ? days) |
| P-611082540 | 95 | As is | by synthesis |
| P-854844386 | 95 | As is | by synthesis |
| P-888841773 | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.229 |
| logP | 1.8433 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 85.21 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 57.6496 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
