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MCULE-8412472847-4
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 | 28 USD | 98 | 22 working days | Get Quote |
| 5 mg | 28 USD | 98 | 22 working days | Get Quote |
| 10 mg | 28 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8412472847-4.sdf |
| SMILES | MCULE-8412472847-4.smiles |
| Standard InChI | MCULE-8412472847-4.inchi |
| InChIKey | MCULE-8412472847-4.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-888172046 | 98 | As is | by synthesis |
| P-869162931 | 95 | As is | 677 mg |
| P-888658388 | 95 | As is | 677 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.249 |
| logP | 2.0953 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 89.71 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.0671 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
