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MCULE-8772115689-0
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 | 49 USD | 90 | 22 working days | Get Quote |
| 5 mg | 72 USD | 90 | 22 working days | Get Quote |
| 10 mg | 90 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8772115689-0.sdf |
| SMILES | MCULE-8772115689-0.smiles |
| Standard InChI | MCULE-8772115689-0.inchi |
| InChIKey | MCULE-8772115689-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-894657253 | 95 | As is | in stock |
| P-899926086 | N/A | As is | by synthesis |
| P-905445674 | 95 | As is | by synthesis |
| P-901876669 | 95 | As is | by synthesis |
| P-454646829 | 90 | As is | in stock |
| P-584607761 | 95 | As is | 5 g |
| P-861350953 | 95 | As is | by synthesis |
| P-855981163 | 95 | As is | 1000 mg |
| P-852590614 | N/A | As is | in stock |
| P-854931722 | 95 | As is | by synthesis |
| P-424840265 | 90 | As is | in stock |
| P-855338317 | 90 | As is | in stock |
| P-3129456 | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.138 |
| logP | 2.4857 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.1927 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
