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MCULE-3915764583-0
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 | 12 USD | 71 | 8 working days | Get Quote |
| 5 mg | 12 USD | 71 | 8 working days | Get Quote |
| 10 mg | 12 USD | 71 | 8 working days | Get Quote |
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1
MCULE-7396794160-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3915764583-0.sdf |
| SMILES | MCULE-3915764583-0.smiles |
| Standard InChI | MCULE-3915764583-0.inchi |
| InChIKey | MCULE-3915764583-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-616204460 | 71 | As is | 720.5 g |
| P-871218582 | N/A | As is | by resynthesis (? - ? days) |
| P-868598720 | 75 | As is | in stock |
| P-871074638 | 95 | As is | in stock |
| P-619670327 | 98 | As is | in stock |
| P-617402585 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 478.325 |
| logP | -1.12 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 220.73 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 106.3719 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 20 |
| Heteroatoms | 15 |
| N/O atoms | 13 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
