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MCULE-6941183981
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 | 822 USD | 99 | 24 working days | Get Quote |
| 5 mg | 1159 USD | 98 | 22 working days | Get Quote |
| 10 mg | 1532 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6941183981.sdf |
| SMILES | MCULE-6941183981.smiles |
| Standard InChI | MCULE-6941183981.inchi |
| InChIKey | MCULE-6941183981.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893454295 | 90 | As is | 10 mg |
| P-868958281 | 99 | As is | by synthesis |
| P-1274907754 | 95 | As is | by synthesis |
| P-888171422 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 430.404 |
| logP | 1.3216 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 111.1 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 113.4992 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
