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MCULE-6442021833
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.
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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 | 276 USD | N/A | 27 working days | Get Quote |
| 5 mg | 773 USD | 90 | 22 working days | Get Quote |
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MCULE-1412252678
- Component type: Main
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MCULE-2808783423
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6442021833.sdf |
| SMILES | MCULE-6442021833.smiles |
| Standard InChI | MCULE-6442021833.inchi |
| InChIKey | MCULE-6442021833.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-900267318 | N/A | As is | by resynthesis (? - ? days) |
| P-1274453600 | 90 | As a main component | 5 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 2491.913 |
| logP | 3.6279 |
| H-bond acceptors | 57 |
| H-bond donors | 32 |
| Rotatable bonds | 53 |
| PSA | 1035.13 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 684.0478 |
| Atoms | 330 |
| Rings | 7 |
| Heavy atoms | 171 |
| Hydrogen atoms | 159 |
| Heteroatoms | 62 |
| N/O atoms | 57 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 23 |
| R/S chiral centers | 23 |
| 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 |
