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MCULE-3080809191
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.
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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.
|
|
|---|---|---|---|---|
| 1 mg | 47 USD | 90 | 11 working days | Get Quote |
| 5 mg | 94 USD | 90 | 11 working days | Get Quote |
| 10 mg | 176 USD | 90 | 11 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-6011864690
- Component type: Main
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MCULE-4869609923
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3080809191.sdf |
| SMILES | MCULE-3080809191.smiles |
| Standard InChI | MCULE-3080809191.inchi |
| InChIKey | MCULE-3080809191.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-621718926 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-22454944 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.327 |
| logP | 2.6798 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.9477 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
