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UNKNOWN STEREO
MCULE-6582513085-0
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6582513085-0.sdf |
| SMILES | MCULE-6582513085-0.smiles |
| Standard InChI | MCULE-6582513085-0.inchi |
| InChIKey | MCULE-6582513085-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570162 | 98 | As is | in stock |
| P-875730713 | 98 | As is | in stock |
| P-1275197742 | 98 | As is | in stock |
| P-596949332 | 98 | As is | 2 g |
| P-864173657 | 98 | As is | in stock |
| P-893219547 | 95 | As is | in stock |
| P-869133005 | 95 | As is | 479 mg |
| P-892292106 | 95 | As is | 479 mg |
| P-888643356 | 95 | As is | 479 mg |
| P-611401696 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 475.618 |
| logP | 5.543 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 63.68 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 138.621 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 37 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
