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UNKNOWN STEREO
MCULE-3249523070-1
Structure
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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 | 157 USD | 95 | 12 working days | Get Quote |
| 5 mg | 376 USD | 95 | 12 working days | Get Quote |
| 10 mg | 536 USD | 95 | 12 working days | Get Quote |
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MCULE-4126509532-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3249523070-1.sdf |
| SMILES | MCULE-3249523070-1.smiles |
| Standard InChI | MCULE-3249523070-1.inchi |
| InChIKey | MCULE-3249523070-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612133 | 97 | As is | in stock |
| P-875772012 | 97 | As is | in stock |
| P-893265893 | 95 | As is | by synthesis |
| P-892301924 | 95 | As a main component | unavailable |
| P-869173020 | 95 | As a main component | 676 mg |
| P-888664154 | 95 | As a main component | 676 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3125.586 |
| logP | 1.1156 |
| H-bond acceptors | 82 |
| H-bond donors | 47 |
| Rotatable bonds | 133 |
| PSA | 1339.16 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 796.4937 |
| Atoms | 451 |
| Rings | 4 |
| Heavy atoms | 221 |
| Hydrogen atoms | 230 |
| Heteroatoms | 82 |
| N/O atoms | 82 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 28 |
| R/S chiral centers | 28 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
