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UNKNOWN STEREO
MCULE-1196784946
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 | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 20 working days | Get Quote |
| 10 mg | 29 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1196784946.sdf |
| SMILES | MCULE-1196784946.smiles |
| Standard InChI | MCULE-1196784946.inchi |
| InChIKey | MCULE-1196784946.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537690 | 98 | As is | in stock |
| P-875692720 | 98 | As is | in stock |
| P-869235582 | 95 | As is | by resynthesis (? - ? days) |
| P-1270389629 | 98 | As is | in stock |
| P-606900023 | N/A | As is | in stock |
| P-596936853 | 98 | As is | 2 g |
| P-864150050 | 95 | As is | in stock |
| P-896540291 | 99 | As is | in stock |
| P-901463479 | 95 | As is | by synthesis |
| P-893288825 | 90 | As is | in stock |
| P-890202806 | 90 | As is | 100 mg |
| P-675215881 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 616.478 |
| logP | 7.34068 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 111.45 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.3537 |
| Atoms | 71 |
| Rings | 4 |
| Heavy atoms | 42 |
| Hydrogen atoms | 29 |
| Heteroatoms | 11 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
