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MCULE-9395028811
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.
|
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|---|---|---|---|---|
| 1 mg | 254 USD | 98 | 15 working days | Get Quote |
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1
MCULE-7279455272
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9395028811.sdf |
| SMILES | MCULE-9395028811.smiles |
| Standard InChI | MCULE-9395028811.inchi |
| InChIKey | MCULE-9395028811.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-579712954 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 2133.889 |
| logP | 6.2341 |
| H-bond acceptors | 46 |
| H-bond donors | 22 |
| Rotatable bonds | 49 |
| PSA | 762.0 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 582.5095 |
| Atoms | 292 |
| Rings | 7 |
| Heavy atoms | 147 |
| Hydrogen atoms | 145 |
| Heteroatoms | 52 |
| N/O atoms | 46 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 17 |
| R/S chiral centers | 17 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
