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UNKNOWN STEREO
MCULE-4677875599-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4677875599-0.sdf |
| SMILES | MCULE-4677875599-0.smiles |
| Standard InChI | MCULE-4677875599-0.inchi |
| InChIKey | MCULE-4677875599-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867550350 | 99 | As is | in stock |
| P-875707652 | 99 | As is | in stock |
| P-1275175381 | 98 | As is | in stock |
| P-1275143901 | 95 | As is | in stock |
| P-596941233 | 98 | As is | 20 g |
| P-864113718 | 99 | As is | in stock |
| P-868545512 | 99 | As is | in stock |
| P-893237042 | 95 | As is | in stock |
| P-860797863 | 98 | As is | in stock |
| P-580297312 | 95 | As is | by resynthesis (? - ? days) |
| P-505535928 | 95 | As is | in stock |
| P-524439832 | 97 | As is | 349 mg |
| P-500409770 | 98 | As is | by synthesis |
| P-892288929 | 95 | As is | unavailable |
| P-869118764 | 95 | As is | 130 mg |
| P-888633787 | 95 | As is | 130 mg |
| P-611354168 | 90 | As is | in stock |
| P-480559266 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 495.534 |
| logP | 4.2273 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 97.05 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 129.8054 |
| Atoms | 67 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
