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UNKNOWN STEREO
MCULE-6687830998
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.
|
|
|---|---|---|---|---|
| 1 mg | 45 USD | 95 | 7 working days | Get Quote |
| 5 mg | 49 USD | 97 | 22 working days | Get Quote |
| 10 mg | 60 USD | 97 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6687830998.sdf |
| SMILES | MCULE-6687830998.smiles |
| Standard InChI | MCULE-6687830998.inchi |
| InChIKey | MCULE-6687830998.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569496 | 97 | As is | in stock |
| P-875729381 | 97 | As is | in stock |
| P-1275175904 | 98 | As is | in stock |
| P-580193296 | 98 | As is | in stock |
| P-887315257 | 95 | As is | in stock |
| P-893218503 | 95 | As is | in stock |
| P-893218510 | 95 | As is | in stock |
| P-893219274 | 95 | As is | in stock |
| P-524443800 | 97 | As is | 569 mg |
| P-500392525 | 98 | As is | by synthesis |
| P-1274328494 | 95 | As is | in stock |
| P-1274334734 | 95 | As is | unavailable |
| P-580052332 | 95 | As is | 51 mg |
| P-1274355379 | 95 | As is | 43 mg |
| P-611426537 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 334.327 |
| logP | 0.0161 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 146.89 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 86.9545 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| 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 |
