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UNKNOWN STEREO
MCULE-9663871826-0
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 working days | Get Quote |
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MCULE-2075772357-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9663871826-0.sdf |
| SMILES | MCULE-9663871826-0.smiles |
| Standard InChI | MCULE-9663871826-0.inchi |
| InChIKey | MCULE-9663871826-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875744171 | N/A | As a main component | in stock |
| P-869192575 | 95 | As a main component | in stock |
| P-505352501 | 98 | As a main component | in stock |
| P-505403866 | 99 | As a main component | in stock |
| P-596954183 | 98 | As a main component | 300 g |
| P-580195938 | 98 | As a main component | in stock |
| P-864090841 | 97 | As a main component | in stock |
| P-893218330 | 95 | As a main component | in stock |
| P-675211591 | 95 | As a main component | in stock |
| P-24482319 | 95 | As a main component | 244 mg |
| P-869108194 | 95 | As a main component | by synthesis |
| P-892286885 | 95 | As a main component | 714 mg |
| P-888627233 | 95 | As a main component | 714 mg |
| P-854956843 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 453.507 |
| logP | -1.642 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 237.76 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 104.7482 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 13 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| 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 |
