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UNKNOWN STEREO
MCULE-2217204949
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 | 485 USD | 96 | 27 working days | Get Quote |
| 5 mg | 485 USD | 96 | 27 working days | Get Quote |
| 10 mg | 485 USD | 96 | 27 working days | Get Quote |
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MCULE-4060023196
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2217204949.sdf |
| SMILES | MCULE-2217204949.smiles |
| Standard InChI | MCULE-2217204949.inchi |
| InChIKey | MCULE-2217204949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590370491 | 96 | As is | by resynthesis (? - ? days) |
| P-896047195 | 95 | As is | by synthesis |
| P-502579115 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.129 |
| logP | -1.0658 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 120.85 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 33.5618 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
