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UNKNOWN STEREO
MCULE-3311296043
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 | 462 USD | 98 | 22 working days | Get Quote |
| 5 mg | 968 USD | 98 | 22 working days | Get Quote |
| 10 mg | 1577 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3311296043.sdf |
| SMILES | MCULE-3311296043.smiles |
| Standard InChI | MCULE-3311296043.inchi |
| InChIKey | MCULE-3311296043.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886753945 | 98 | As is | in stock |
| P-890186682 | 98 | As is | in stock |
| P-874604799 | N/A | As is | by resynthesis (? - ? days) |
| P-891663385 | N/A | As is | by synthesis |
| P-895108495 | N/A | As is | 1 mg |
| P-889796256 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 774.702 |
| logP | 7.1955 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 136.71 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 217.4843 |
| Atoms | 96 |
| Rings | 8 |
| Heavy atoms | 54 |
| Hydrogen atoms | 42 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 4 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
