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UNKNOWN STEREO
MCULE-1891620706-0
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 | 24 USD | 97 | 20 working days | Get Quote |
| 5 mg | 24 USD | 97 | 20 working days | Get Quote |
| 10 mg | 24 USD | 97 | 20 working days | Get Quote |
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MCULE-7579942205-0
- Component type: Main
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MCULE-4863438451-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1891620706-0.sdf |
| SMILES | MCULE-1891620706-0.smiles |
| Standard InChI | MCULE-1891620706-0.inchi |
| InChIKey | MCULE-1891620706-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569548 | 95 | As is | in stock |
| P-875729805 | 97 | As is | in stock |
| P-1275175945 | 97 | As is | in stock |
| P-904509695 | 95 | As is | by resynthesis (? - ? days) |
| P-1270369500 | 97 | As is | in stock |
| P-606936982 | N/A | As is | in stock |
| P-851630225 | N/A | As is | by synthesis |
| P-596948785 | 97 | As is | 250 g |
| P-864107833 | 95 | As is | in stock |
| P-893231381 | 95 | As is | in stock |
| P-619811232 | 96 | As is | in stock |
| P-854992583 | 90 | As is | in stock |
| P-894638601 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851708187 | N/A | As a main component | by synthesis |
| P-851722954 | N/A | As a main component | by synthesis |
| P-864225223 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 131.130 |
| logP | -0.8774 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 69.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 33.6853 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
