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UNKNOWN STEREO
MCULE-5280578115-0
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 | 20 USD | N/A | 20 working days | Get Quote |
| 5 mg | 39 USD | N/A | 20 working days | Get Quote |
| 10 mg | 57 USD | N/A | 20 working days | Get Quote |
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1
MCULE-2368532812-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5280578115-0.sdf |
| SMILES | MCULE-5280578115-0.smiles |
| Standard InChI | MCULE-5280578115-0.inchi |
| InChIKey | MCULE-5280578115-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875854038 | 99 | As is | in stock |
| P-1275158916 | 98 | As is | in stock |
| P-1275171433 | 99 | As is | in stock |
| P-895105387 | N/A | As is | 100 mg |
| P-864150135 | 95 | As is | in stock |
| P-611491611 | 90 | As is | in stock |
| P-480233529 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 580.620 |
| logP | 5.0519 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 13 |
| PSA | 114.62 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 156.3133 |
| Atoms | 76 |
| Rings | 4 |
| Heavy atoms | 42 |
| Hydrogen atoms | 34 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| 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 |
