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UNKNOWN STEREO
MCULE-4061045716-0
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 | 31 USD | 98 | 19 working days | Get Quote |
| 5 mg | 31 USD | 98 | 19 working days | Get Quote |
| 10 mg | 31 USD | 98 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4061045716-0.sdf |
| SMILES | MCULE-4061045716-0.smiles |
| Standard InChI | MCULE-4061045716-0.inchi |
| InChIKey | MCULE-4061045716-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890152903 | 99 | As is | in stock |
| P-1275163727 | 98 | As is | in stock |
| P-1270358312 | 99 | As is | in stock |
| P-889752483 | N/A | As is | in stock |
| P-892189576 | 99 | As is | 250 mg |
| P-864147917 | 95 | As is | in stock |
| P-893261114 | 95 | As is | by synthesis |
| P-893236915 | 95 | As is | in stock |
| P-892305699 | 95 | As is | in stock |
| P-892301373 | 95 | As is | unavailable |
| P-869166486 | 95 | As is | 124 mg |
| P-888660878 | 95 | As is | 124 mg |
| P-855004520 | 90 | As is | in stock |
| P-1271701006 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 482.434 |
| logP | 2.3627 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 155.14 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 120.5501 |
| Atoms | 57 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
