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UNKNOWN STEREO
MCULE-5078100336
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 | 100 USD | 98 | 20 working days | Get Quote |
| 5 mg | 100 USD | 98 | 20 working days | Get Quote |
| 10 mg | 164 USD | 98 | 20 working days | Get Quote |
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MCULE-1745471613
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5078100336.sdf |
| SMILES | MCULE-5078100336.smiles |
| Standard InChI | MCULE-5078100336.inchi |
| InChIKey | MCULE-5078100336.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611335 | 98 | As a main component | in stock |
| P-875771438 | 98 | As a main component | in stock |
| P-869317805 | 95 | As a main component | by resynthesis (? - ? days) |
| P-892189198 | 98 | As a main component | 20 mg |
| P-905462216 | 95 | As a main component | in stock |
| P-901436888 | 95 | As a main component | by synthesis |
| P-580450571 | 98 | As a main component | in stock |
| P-869128606 | 95 | As a main component | unavailable |
| P-888641239 | 95 | As a main component | unavailable |
| P-611527503 | 90 | As a main component | in stock |
| P-1271623073 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.375 |
| logP | 3.3715 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 77.635 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 25 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
