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UNKNOWN STEREO
MCULE-5041357609
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 | 104 USD | N/A | 14 working days | Get Quote |
| 5 mg | 104 USD | N/A | 14 working days | Get Quote |
| 10 mg | 162 USD | N/A | 14 working days | Get Quote |
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1
MCULE-2822079095
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5041357609.sdf |
| SMILES | MCULE-5041357609.smiles |
| Standard InChI | MCULE-5041357609.inchi |
| InChIKey | MCULE-5041357609.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274434108 | N/A | As is | in stock |
| P-1275490380 | 95 | As is | in stock |
| P-893242371 | 95 | As is | in stock |
| P-611362145 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 446.083 |
| logP | 0.2578 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 187.45 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 79.2249 |
| Atoms | 35 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 10 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
