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MCULE-9201683041-0
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 10 USD | 99 | 14 working days | Get Quote |
| 10 mg | 10 USD | 99 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9201683041-0.sdf |
| SMILES | MCULE-9201683041-0.smiles |
| Standard InChI | MCULE-9201683041-0.inchi |
| InChIKey | MCULE-9201683041-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903077325 | 99 | As is | 50 g |
| P-893520214 | 90 | As is | 225.78 g |
| P-505574621 | 98 | As is | in stock |
| P-872779897 | 95 | As is | by synthesis |
| P-872749545 | 98 | As is | in stock |
| P-608497187 | 95 | As is | in stock |
| P-854720264 | 95 | As is | in stock |
| P-896627405 | 95 | As is | by synthesis |
| P-584620909 | 95 | As is | in stock |
| P-608273493 | 98 | As is | in stock |
| P-1263957533 | 90 | As is | in stock |
| P-579710123 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 628.799 |
| logP | 5.3766 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 17 |
| PSA | 120.0 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 187.9199 |
| Atoms | 94 |
| Rings | 4 |
| Heavy atoms | 46 |
| Hydrogen atoms | 48 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
