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MCULE-9549881617-0
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.
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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.
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|---|---|---|---|---|
| 1 mg | 436 USD | 85 | 15 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9549881617-0.sdf |
| SMILES | MCULE-9549881617-0.smiles |
| Standard InChI | MCULE-9549881617-0.inchi |
| InChIKey | MCULE-9549881617-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-25957185 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 443.454 |
| logP | 1.7201 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 96.77 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 129.1417 |
| Atoms | 54 |
| Rings | 7 |
| Heavy atoms | 33 |
| Hydrogen atoms | 21 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
