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UNKNOWN STEREO
MCULE-5804740371
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 | 20 USD | 95 | 10 working days | Get Quote |
| 5 mg | 20 USD | 95 | 10 working days | Get Quote |
| 10 mg | 20 USD | 95 | 10 working days | Get Quote |
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MCULE-8575321990
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5804740371.sdf |
| SMILES | MCULE-5804740371.smiles |
| Standard InChI | MCULE-5804740371.inchi |
| InChIKey | MCULE-5804740371.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668344 | 95 | As is | in stock |
| P-875842528 | 95 | As is | in stock |
| P-869323933 | 95 | As is | by resynthesis (? - ? days) |
| P-901358206 | 95 | As is | by synthesis |
| P-492250038 | 95 | As is | in stock |
| P-872448331 | 90 | As is | 50 mg |
| P-12360726 | 90 | As is | 27 mg |
| P-611430203 | 90 | As is | in stock |
| P-1271515164 | 95 | As is | by synthesis |
| P-619281992 | 90 | As a main component | 3 mg |
| P-617758496 | 90 | As a main component | 81 mg |
| P-617742524 | 90 | As a main component | 139 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.286 |
| logP | 3.1442 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.9787 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 19 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
