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MCULE-7753969490
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 | 8 USD | N/A | 19 working days | Get Quote |
| 5 mg | 8 USD | N/A | 19 working days | Get Quote |
| 10 mg | 8 USD | N/A | 19 working days | Get Quote |
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MCULE-7879271585
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7753969490.sdf |
| SMILES | MCULE-7753969490.smiles |
| Standard InChI | MCULE-7753969490.inchi |
| InChIKey | MCULE-7753969490.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580094348 | N/A | As is | in stock |
| P-893568248 | 90 | As a main component | 1.75103 kg |
| P-616204796 | 97 | As a main component | 31.25 g |
| P-905500265 | N/A | As a main component | in stock |
| P-868598133 | 97 | As a main component | in stock |
| P-905333830 | N/A | As a main component | 10 g |
| P-861969295 | N/A | As a main component | 1.0677 kg |
| P-852462795 | N/A | As a main component | in stock |
| P-895222486 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 560.664 |
| logP | 5.641 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 175.29 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 147.0076 |
| Atoms | 75 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 36 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
