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UNKNOWN STEREO
MCULE-5509616866-0
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 | 99 | 20 working days | Get Quote |
| 5 mg | 15 USD | 99 | 22 working days | Get Quote |
| 10 mg | 15 USD | 99 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5509616866-0.sdf |
| SMILES | MCULE-5509616866-0.smiles |
| Standard InChI | MCULE-5509616866-0.inchi |
| InChIKey | MCULE-5509616866-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587388 | 99 | As is | in stock |
| P-875746393 | 95 | As is | in stock |
| P-1270272146 | 99 | As is | in stock |
| P-856055043 | 95 | As is | by synthesis |
| P-596954870 | 99 | As is | 10 g |
| P-864109470 | 98 | As is | in stock |
| P-868545535 | 99 | As is | in stock |
| P-893219202 | 95 | As is | in stock |
| P-893232553 | 95 | As is | in stock |
| P-500143491 | 95 | As is | in stock |
| P-860798128 | 98 | As is | in stock |
| P-580048350 | 90 | As is | by synthesis |
| P-524442728 | 95 | As is | unavailable |
| P-500375720 | 98 | As is | by synthesis |
| P-869120224 | 95 | As is | 387 mg |
| P-892289389 | 95 | As is | 387 mg |
| P-888635042 | 95 | As is | 387 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 628.799 |
| logP | 5.3766 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 17 |
| PSA | 120.0 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 187.9199 |
| Atoms | 94 |
| Rings | 4 |
| Heavy atoms | 46 |
| Hydrogen atoms | 48 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
